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III.G.9.a.

Energy differences between B3LYP/6-31G* using fine and ultrafine grids

Energies in Hartrees. Sorted by energy difference.
Energy differences whose absolute value is greater than 1 microhartrees are shown.
Species Name Energy (hartree)
Fine Grid Ultrafine Grid Difference
HBS hydrogen boron sulfide -423.653930 -421.551287 -2.102643
Ne- Neon atom anion -128.894360 -127.286241 -1.608120
Ne Neon atom -128.894360 -127.286241 -1.608120
Ne+ Neon atom cation -128.894360 -127.286241 -1.608120
He- Helium atom anion -2.907049 -1.584559 -1.322490
He Helium atom -2.907049 -1.584559 -1.322490
He+ Helium atom cation -2.907049 -1.584559 -1.322490
He- Helium atom anion -2.907049 -1.993158 -0.913891
He Helium atom -2.907049 -1.993158 -0.913891
He+ Helium atom cation -2.907049 -1.993158 -0.913891
Ne- Neon atom anion -128.111961 -127.286241 -0.825721
Ne Neon atom -128.111961 -127.286241 -0.825721
Ne+ Neon atom cation -128.111961 -127.286241 -0.825721
Ne- Neon atom anion -128.894360 -128.111960 -0.782400
Ne Neon atom -128.894360 -128.111960 -0.782400
Ne+ Neon atom cation -128.894360 -128.111960 -0.782400
F- Fluorine atom anion -99.754089 -99.076751 -0.677338
F Fluorine atom -99.754089 -99.076751 -0.677338
F+ Fluorine atom cation -99.754089 -99.076751 -0.677338
CN- cyanide anion -92.824532 -92.159716 -0.664816
CN Cyano radical -92.824532 -92.159716 -0.664816
CN+ Cyano cation -92.824532 -92.159716 -0.664816
C2H- Ethynyl anion -76.728216 -76.079956 -0.648259
C2H Ethynyl radical -76.728216 -76.079956 -0.648259
C2H+ Ethynyl cation -76.728216 -76.079956 -0.648259
F- Fluorine atom anion -99.715531 -99.076751 -0.638780
F Fluorine atom -99.715531 -99.076751 -0.638780
F+ Fluorine atom cation -99.715531 -99.076751 -0.638780
C2H- Ethynyl anion -76.741089 -76.103610 -0.637479
C2H Ethynyl radical -76.741089 -76.103610 -0.637479
C2H+ Ethynyl cation -76.741089 -76.103610 -0.637479
F2- flourine diatomic anion -199.568927 -198.934544 -0.634383
F2 Fluorine diatomic -199.568927 -198.934544 -0.634383
F2+ flourine diatomic cation -199.568927 -198.934544 -0.634383
C2H- Ethynyl anion -76.725852 -76.095495 -0.630357
C2H Ethynyl radical -76.725852 -76.095495 -0.630357
C2H+ Ethynyl cation -76.725852 -76.095495 -0.630357
C2H- Ethynyl anion -76.722748 -76.092599 -0.630150
C2H Ethynyl radical -76.722748 -76.092599 -0.630150
C2H+ Ethynyl cation -76.722748 -76.092599 -0.630150
C2H- Ethynyl anion -76.703173 -76.079705 -0.623468
C2H Ethynyl radical -76.703173 -76.079705 -0.623468
C2H+ Ethynyl cation -76.703173 -76.079705 -0.623468
C2H- Ethynyl anion -76.692043 -76.082590 -0.609453
C2H Ethynyl radical -76.692043 -76.082590 -0.609453
C2H+ Ethynyl cation -76.692043 -76.082590 -0.609453
C2H- Ethynyl anion -76.684749 -76.079027 -0.605722
C2H Ethynyl radical -76.684749 -76.079027 -0.605722
C2H+ Ethynyl cation -76.684749 -76.079027 -0.605722
C2H- Ethynyl anion -76.682553 -76.076967 -0.605586
C2H Ethynyl radical -76.682553 -76.076967 -0.605586
C2H+ Ethynyl cation -76.682553 -76.076967 -0.605586
C2H- Ethynyl anion -76.665600 -76.060887 -0.604713
C2H Ethynyl radical -76.665600 -76.060887 -0.604713
C2H+ Ethynyl cation -76.665600 -76.060887 -0.604713
C2H- Ethynyl anion -76.257785 -75.653884 -0.603901
C2H Ethynyl radical -76.257785 -75.653884 -0.603901
C2H+ Ethynyl cation -76.257785 -75.653884 -0.603901
C2H- Ethynyl anion -76.257785 -75.653884 -0.603901
C2H Ethynyl radical -76.257785 -75.653884 -0.603901
C2H+ Ethynyl cation -76.257785 -75.653884 -0.603901
BO2- Boron dioxide anion -175.430473 -174.829385 -0.601088
BO2 Boron dioxide -175.430473 -174.829385 -0.601088
BO2+ Boron dioxide cation -175.430473 -174.829385 -0.601088
Cl- Chlorine atom anion -460.252233 -459.657392 -0.594841
Cl Chlorine atom -460.252233 -459.657392 -0.594841
Cl+ Chlorine atom cation -460.252233 -459.657392 -0.594841
OH- hydroxide anion -75.723454 -75.136217 -0.587237
OH Hydroxyl radical -75.723454 -75.136217 -0.587237
OH+ hydoxyl cation -75.723454 -75.136217 -0.587237
OH- hydroxide anion -75.720774 -75.136217 -0.584557
OH Hydroxyl radical -75.720774 -75.136217 -0.584557
OH+ hydoxyl cation -75.720774 -75.136217 -0.584557
Ar- Argon atom anion -527.517142 -526.936877 -0.580265
Ar Argon atom -527.517142 -526.936877 -0.580265
Ar+ Argon atom cation -527.517142 -526.936877 -0.580265
N2- nitrogen diatomic anion -109.524129 -108.946399 -0.577729
N2 Nitrogen diatomic -109.524129 -108.946399 -0.577729
N2+ diatomic nitrogen cation -109.524129 -108.946399 -0.577729
H2- hydrogen diatomic anion -1.175482 -0.598151 -0.577332
H2 Hydrogen diatomic -1.175482 -0.598151 -0.577332
H2+ Hydrogen cation -1.175482 -0.598151 -0.577332
C2- carbon diatomic anion -76.007854 -75.435844 -0.572010
C2 Carbon diatomic -76.007854 -75.435844 -0.572010
C2+ carbon diatomic cation -76.007854 -75.435844 -0.572010
HF- hydrogen fluoride anion -100.420172 -99.850292 -0.569881
HF Hydrogen fluoride -100.420172 -99.850292 -0.569881
HF+ hydrogen fluoride cation -100.420172 -99.850292 -0.569881
F2- flourine diatomic anion -199.498324 -198.934544 -0.563779
F2 Fluorine diatomic -199.498324 -198.934544 -0.563779
F2+ flourine diatomic cation -199.498324 -198.934544 -0.563779
CN- cyanide anion -92.711748 -92.159716 -0.552032
CN Cyano radical -92.711748 -92.159716 -0.552032
CN+ Cyano cation -92.711748 -92.159716 -0.552032
BF3- Borane, trifluoro- anion -324.553220 -324.009339 -0.543881
BF3 Borane, trifluoro- -324.553220 -324.009339 -0.543881
BF3+ boron trifluoride cation -324.553220 -324.009339 -0.543881
Br- Bromine atom anion -2571.761339 -2571.220726 -0.540613
Br Bromine atom -2571.761339 -2571.220726 -0.540613
Br+ Bromine atom cation -2571.761339 -2571.220726 -0.540613
N- Nitrogen atom anion -54.584490 -54.045861 -0.538629
N Nitrogen atom -54.584490 -54.045861 -0.538629
N+ Nitrogen atom cation -54.584490 -54.045861 -0.538629
BO- boron monoxide anion -100.080528 -99.543034 -0.537494
BO boron monoxide -100.080528 -99.543034 -0.537494
BO+ boron monoxide cation -100.080528 -99.543034 -0.537494
H- Hydrogen atom anion -0.535667 0.000000 -0.535667
H Hydrogen atom -0.535667 0.000000 -0.535667
H+ Hydrogen atom cation -0.535667 0.000000 -0.535667
SO3- Sulfur trioxide anion -623.831895 -623.297870 -0.534025
SO3 Sulfur trioxide -623.831895 -623.297870 -0.534025
SO3+ Sulfur trioxide cation -623.831895 -623.297870 -0.534025
C2H- Ethynyl anion -76.637618 -76.103610 -0.534008
C2H Ethynyl radical -76.637618 -76.103610 -0.534008
C2H+ Ethynyl cation -76.637618 -76.103610 -0.534008
C2H- Ethynyl anion -76.629459 -76.095495 -0.533964
C2H Ethynyl radical -76.629459 -76.095495 -0.533964
C2H+ Ethynyl cation -76.629459 -76.095495 -0.533964
C2H- Ethynyl anion -76.626486 -76.092599 -0.533887
C2H Ethynyl radical -76.626486 -76.092599 -0.533887
C2H+ Ethynyl cation -76.626486 -76.092599 -0.533887
ClF- clorine monofluoride anion -560.017531 -559.484092 -0.533440
ClF Chlorine monofluoride -560.017531 -559.484092 -0.533440
ClF+ clorine monofluoride cation -560.017531 -559.484092 -0.533440
C2H- Ethynyl anion -76.613237 -76.079956 -0.533281
C2H Ethynyl radical -76.613237 -76.079956 -0.533281
C2H+ Ethynyl cation -76.613237 -76.079956 -0.533281
C2H- Ethynyl anion -76.186471 -75.653884 -0.532587
C2H Ethynyl radical -76.186471 -75.653884 -0.532587
C2H+ Ethynyl cation -76.186471 -75.653884 -0.532587
C2H- Ethynyl anion -76.186471 -75.653884 -0.532587
C2H Ethynyl radical -76.186471 -75.653884 -0.532587
C2H+ Ethynyl cation -76.186471 -75.653884 -0.532587
C2H- Ethynyl anion -76.611822 -76.079705 -0.532116
C2H Ethynyl radical -76.611822 -76.079705 -0.532116
C2H+ Ethynyl cation -76.611822 -76.079705 -0.532116
BN- boron nitride anion -79.495423 -78.963674 -0.531750
BN boron nitride -79.495423 -78.963674 -0.531750
BN+ boron nitride cation -79.495423 -78.963674 -0.531750
CP- carbon monophosphide anion -379.379251 -378.848224 -0.531028
CP Carbon monophosphide -379.379251 -378.848224 -0.531028
CP+ carbon monophosphide cation -379.379251 -378.848224 -0.531028
Ar- Argon atom anion -527.517142 -526.988392 -0.528750
Ar Argon atom -527.517142 -526.988392 -0.528750
Ar+ Argon atom cation -527.517142 -526.988392 -0.528750
C2H- Ethynyl anion -76.589100 -76.060887 -0.528213
C2H Ethynyl radical -76.589100 -76.060887 -0.528213
C2H+ Ethynyl cation -76.589100 -76.060887 -0.528213
C2H- Ethynyl anion -76.610506 -76.082590 -0.527917
C2H Ethynyl radical -76.610506 -76.082590 -0.527917
C2H+ Ethynyl cation -76.610506 -76.082590 -0.527917
C2H- Ethynyl anion -76.604442 -76.076967 -0.527475
C2H Ethynyl radical -76.604442 -76.076967 -0.527475
C2H+ Ethynyl cation -76.604442 -76.076967 -0.527475
C2H- Ethynyl anion -76.606237 -76.079027 -0.527210
C2H Ethynyl radical -76.606237 -76.079027 -0.527210
C2H+ Ethynyl cation -76.606237 -76.079027 -0.527210
Cl2- chlorine diatomic anion -920.451905 -919.926639 -0.525266
Cl2 Chlorine diatomic -920.451905 -919.926639 -0.525266
Cl2+ chlorine diatomic cation -920.451905 -919.926639 -0.525266
O3- Ozone anion -225.470686 -224.947627 -0.523059
O3 Ozone -225.470686 -224.947627 -0.523059
O3+ Ozone cation -225.470686 -224.947627 -0.523059
C2- carbon diatomic anion -76.007854 -75.487987 -0.519867
C2 Carbon diatomic -76.007854 -75.487987 -0.519867
C2+ carbon diatomic cation -76.007854 -75.487987 -0.519867
CO- carbon monoxide anion -113.309454 -112.793564 -0.515890
CO Carbon monoxide -113.309454 -112.793564 -0.515890
CO+ carbon monoxide cation -113.309454 -112.793564 -0.515890
O- Oxygen atom anion -75.060612 -74.546594 -0.514018
O Oxygen atom -75.060612 -74.546594 -0.514018
O+ Oxygen atom cation -75.060612 -74.546594 -0.514018
CH4 Methane -40.518389 -40.005229 -0.513160
CH4+ Methane cation -40.518389 -40.005229 -0.513160
H- Hydrogen atom anion -0.509886 0.000000 -0.509886
H Hydrogen atom -0.509886 0.000000 -0.509886
H+ Hydrogen atom cation -0.509886 0.000000 -0.509886
H- Hydrogen atom anion -0.509865 0.000000 -0.509865
H Hydrogen atom -0.509865 0.000000 -0.509865
H+ Hydrogen atom cation -0.509865 0.000000 -0.509865
H- Hydrogen atom anion -0.509865 0.000000 -0.509865
H Hydrogen atom -0.509865 0.000000 -0.509865
H+ Hydrogen atom cation -0.509865 0.000000 -0.509865
H- Hydrogen atom anion -0.509865 0.000000 -0.509865
H Hydrogen atom -0.509865 0.000000 -0.509865
H+ Hydrogen atom cation -0.509865 0.000000 -0.509865
O- Oxygen atom anion -75.052728 -74.546594 -0.506135
O Oxygen atom -75.052728 -74.546594 -0.506135
O+ Oxygen atom cation -75.052728 -74.546594 -0.506135
ClO- chlorine monoxide anion -535.340889 -534.836842 -0.504047
ClO Monochlorine monoxide -535.340889 -534.836842 -0.504047
ClO+ chlorine monoxide cation -535.340889 -534.836842 -0.504047
FO- flourine oxide anion -174.905374 -174.402814 -0.502560
FO Oxygen monofluoride -174.905374 -174.402814 -0.502560
FO+ fluorine monoxide cation -174.905374 -174.402814 -0.502560
H- Hydrogen atom anion -0.502260 0.000000 -0.502260
H Hydrogen atom -0.502260 0.000000 -0.502260
H+ Hydrogen atom cation -0.502260 0.000000 -0.502260
H- Hydrogen atom anion -0.502156 0.000000 -0.502156
H Hydrogen atom -0.502156 0.000000 -0.502156
H+ Hydrogen atom cation -0.502156 0.000000 -0.502156
H- Hydrogen atom anion -0.502156 0.000000 -0.502156
H Hydrogen atom -0.502156 0.000000 -0.502156
H+ Hydrogen atom cation -0.502156 0.000000 -0.502156
H- Hydrogen atom anion -0.502156 0.000000 -0.502156
H Hydrogen atom -0.502156 0.000000 -0.502156
H+ Hydrogen atom cation -0.502156 0.000000 -0.502156
H- Hydrogen atom anion -0.502156 0.000000 -0.502156
H Hydrogen atom -0.502156 0.000000 -0.502156
H+ Hydrogen atom cation -0.502156 0.000000 -0.502156
H- Hydrogen atom anion -0.502156 0.000000 -0.502156
H Hydrogen atom -0.502156 0.000000 -0.502156
H+ Hydrogen atom cation -0.502156 0.000000 -0.502156
H- Hydrogen atom anion -0.502156 0.000000 -0.502156
H Hydrogen atom -0.502156 0.000000 -0.502156
H+ Hydrogen atom cation -0.502156 0.000000 -0.502156
H- Hydrogen atom anion -0.501258 0.000000 -0.501258
H Hydrogen atom -0.501258 0.000000 -0.501258
H+ Hydrogen atom cation -0.501258 0.000000 -0.501258
CO2- Carbon dioxide anion -188.580940 -188.080038 -0.500902
CO2 Carbon dioxide -188.580940 -188.080038 -0.500902
CO2+ Carbon dioxide cation -188.580940 -188.080038 -0.500902
H- Hydrogen atom anion -0.500273 0.000000 -0.500273
H Hydrogen atom -0.500273 0.000000 -0.500273
H+ Hydrogen atom cation -0.500273 0.000000 -0.500273
H- Hydrogen atom anion -0.500273 0.000000 -0.500273
H Hydrogen atom -0.500273 0.000000 -0.500273
H+ Hydrogen atom cation -0.500273 0.000000 -0.500273
H- Hydrogen atom anion -0.500273 0.000000 -0.500273
H Hydrogen atom -0.500273 0.000000 -0.500273
H+ Hydrogen atom cation -0.500273 0.000000 -0.500273
H- Hydrogen atom anion -0.500273 0.000000 -0.500273
H Hydrogen atom -0.500273 0.000000 -0.500273
H+ Hydrogen atom cation -0.500273 0.000000 -0.500273
H- Hydrogen atom anion -0.500273 0.000000 -0.500273
H Hydrogen atom -0.500273 0.000000 -0.500273
H+ Hydrogen atom cation -0.500273 0.000000 -0.500273
NH- Imidogen anion -55.219438 -54.720331 -0.499107
NH Imidogen -55.219438 -54.720331 -0.499107
NH+ imidogen cation -55.219438 -54.720331 -0.499107
H- Hydrogen atom anion -0.498911 0.000000 -0.498911
H Hydrogen atom -0.498911 0.000000 -0.498911
H+ Hydrogen atom cation -0.498911 0.000000 -0.498911
H- Hydrogen atom anion -0.497311 0.000000 -0.497311
H Hydrogen atom -0.497311 0.000000 -0.497311
H+ Hydrogen atom cation -0.497311 0.000000 -0.497311
H- Hydrogen atom anion -0.497311 0.000000 -0.497311
H Hydrogen atom -0.497311 0.000000 -0.497311
H+ Hydrogen atom cation -0.497311 0.000000 -0.497311
PO2- Phosphorus dioxide anion -491.869886 -491.372998 -0.496888
PO2 Phosphorus dioxide -491.869886 -491.372998 -0.496888
PO2+ Phosphorus dioxide cation -491.869886 -491.372998 -0.496888
NO3- nitrate anion -280.216814 -279.720804 -0.496009
NO3 Nitrogen trioxide -280.216814 -279.720804 -0.496009
NO3+ nitrogen trioxide cation -280.216814 -279.720804 -0.496009
NO3- nitrate anion -280.216814 -279.720804 -0.496009
NO3 Nitrogen trioxide -280.216814 -279.720804 -0.496009
NO3+ nitrogen trioxide cation -280.216814 -279.720804 -0.496009
BrCl- bromine chloride anion -3031.969477 -3031.473542 -0.495935
BrCl Bromine monochloride -3031.969477 -3031.473542 -0.495935
BrCl+ bromine chloride cation -3031.969477 -3031.473542 -0.495935
C2H- Ethynyl anion -76.682553 -76.189369 -0.493184
C2H Ethynyl radical -76.682553 -76.189369 -0.493184
C2H+ Ethynyl cation -76.682553 -76.189369 -0.493184
BrF- bromine fluoride anion -2671.535978 -2671.043267 -0.492711
BrF Bromine monofluoride -2671.535978 -2671.043267 -0.492711
BrF+ bromine fluoride cation -2671.535978 -2671.043267 -0.492711
SF- sulfur monofluoride anion -498.011920 -497.520491 -0.491429
SF Monosulfur monofluoride -498.011920 -497.520491 -0.491429
SF+ sulfur monofluoride cation -498.011920 -497.520491 -0.491429
HCN- Hydrogen cyanide anion -93.422618 -92.932359 -0.490258
HCN Hydrogen cyanide -93.422618 -92.932359 -0.490258
HCN+ hydrogen cyanide cation -93.422618 -92.932359 -0.490258
H- Hydrogen atom anion -0.488690 0.000000 -0.488690
H Hydrogen atom -0.488690 0.000000 -0.488690
H+ Hydrogen atom cation -0.488690 0.000000 -0.488690
BC- boron monocarbide anion -62.708820 -62.220704 -0.488115
BC boron monocarbide -62.708820 -62.220704 -0.488115
BC+ boron monocarbide cation -62.708820 -62.220704 -0.488115
SCl- sulfur monochloride anion -858.421770 -857.934385 -0.487385
SCl sulfur monochloride -858.421770 -857.934385 -0.487385
SCl+ sulfur monochloride cation -858.421770 -857.934385 -0.487385
N- Nitrogen atom anion -54.528641 -54.045861 -0.482780
N Nitrogen atom -54.528641 -54.045861 -0.482780
N+ Nitrogen atom cation -54.528641 -54.045861 -0.482780
C2- carbon diatomic anion -75.918384 -75.435844 -0.482540
C2 Carbon diatomic -75.918384 -75.435844 -0.482540
C2+ carbon diatomic cation -75.918384 -75.435844 -0.482540
N2- nitrogen diatomic anion -109.428195 -108.946399 -0.481795
N2 Nitrogen diatomic -109.428195 -108.946399 -0.481795
N2+ diatomic nitrogen cation -109.428195 -108.946399 -0.481795
CP- carbon monophosphide anion -379.379251 -378.897891 -0.481360
CP Carbon monophosphide -379.379251 -378.897891 -0.481360
CP+ carbon monophosphide cation -379.379251 -378.897891 -0.481360
BO- boron monoxide anion -100.024135 -99.543034 -0.481102
BO boron monoxide -100.024135 -99.543034 -0.481102
BO+ boron monoxide cation -100.024135 -99.543034 -0.481102
HSe- selenium monohydride anion -2399.991740 -2399.512008 -0.479732
HSe Selenium monohydride -2399.991740 -2399.512008 -0.479732
HSe+ selenium monohydride cation -2399.991740 -2399.512008 -0.479732
BS- boron monosulfide anion -423.030718 -422.550992 -0.479726
BS boron sulfide -423.030718 -422.550992 -0.479726
BS+ boron monosulfide cation -423.030718 -422.550992 -0.479726
BF3- Borane, trifluoro- anion -324.488798 -324.009339 -0.479458
BF3 Borane, trifluoro- -324.488798 -324.009339 -0.479458
BF3+ boron trifluoride cation -324.488798 -324.009339 -0.479458
Cl- Chlorine atom anion -460.136256 -459.657392 -0.478864
Cl Chlorine atom -460.136256 -459.657392 -0.478864
Cl+ Chlorine atom cation -460.136256 -459.657392 -0.478864
BH3- boron trihydride anion -26.613000 -26.135237 -0.477763
BH3 boron trihydride -26.613000 -26.135237 -0.477763
BH3+ boron trihydride cation -26.613000 -26.135237 -0.477763
SO3- Sulfur trioxide anion -623.774691 -623.297870 -0.476821
SO3 Sulfur trioxide -623.774691 -623.297870 -0.476821
SO3+ Sulfur trioxide cation -623.774691 -623.297870 -0.476821
OH- hydroxide anion -75.723454 -75.247832 -0.475623
OH Hydroxyl radical -75.723454 -75.247832 -0.475623
OH+ hydoxyl cation -75.723454 -75.247832 -0.475623
C2N2 Cyanogen -185.654611 -185.181433 -0.473178
C2N2+ Cyanogen cation -185.654611 -185.181433 -0.473178
SO2- Sulfur dioxide anion -548.616885 -548.143779 -0.473106
SO2 Sulfur dioxide -548.616885 -548.143779 -0.473106
SO2+ Sulfur dioxide cation -548.616885 -548.143779 -0.473106
OH- hydroxide anion -75.720774 -75.247832 -0.472942
OH Hydroxyl radical -75.720774 -75.247832 -0.472942
OH+ hydoxyl cation -75.720774 -75.247832 -0.472942
BO2- Boron dioxide anion -175.302295 -174.829385 -0.472910
BO2 Boron dioxide -175.302295 -174.829385 -0.472910
BO2+ Boron dioxide cation -175.302295 -174.829385 -0.472910
Br2- bromine diatomic anion -5143.486715 -5143.014513 -0.472202
Br2 Bromine diatomic -5143.486715 -5143.014513 -0.472202
Br2+ bromine diatomic cation -5143.486715 -5143.014513 -0.472202
CH4 Methane -40.518389 -40.046349 -0.472039
CH4+ Methane cation -40.518389 -40.046349 -0.472039
N2O- Nitrous oxide anion -184.660273 -184.189287 -0.470986
N2O Nitrous oxide -184.660273 -184.189287 -0.470986
N2O+ Nitrous oxide cation -184.660273 -184.189287 -0.470986
HCl- hydrogen chloride anion -460.795700 -460.328455 -0.467245
HCl Hydrogen chloride -460.795700 -460.328455 -0.467245
HCl+ hydrogen chloride cation -460.795700 -460.328455 -0.467245
FO- flourine oxide anion -174.869582 -174.402814 -0.466768
FO Oxygen monofluoride -174.869582 -174.402814 -0.466768
FO+ fluorine monoxide cation -174.869582 -174.402814 -0.466768
CH4 Methane -40.518389 -40.051986 -0.466402
CH4+ Methane cation -40.518389 -40.051986 -0.466402
NH2- amino anion -55.872619 -55.410216 -0.462404
NH2 Amino radical -55.872619 -55.410216 -0.462404
NH2+ Amino cation -55.872619 -55.410216 -0.462404
O2- oxygen diatomic anion -150.320038 -149.857868 -0.462170
O2 Oxygen diatomic -150.320038 -149.857868 -0.462170
O2+ diatomic oxygen cation -150.320038 -149.857868 -0.462170
H- Hydrogen atom anion -0.461817 0.000000 -0.461817
H Hydrogen atom -0.461817 0.000000 -0.461817
H+ Hydrogen atom cation -0.461817 0.000000 -0.461817
H- Hydrogen atom anion -0.461817 0.000000 -0.461817
H Hydrogen atom -0.461817 0.000000 -0.461817
H+ Hydrogen atom cation -0.461817 0.000000 -0.461817
H- Hydrogen atom anion -0.461817 0.000000 -0.461817
H Hydrogen atom -0.461817 0.000000 -0.461817
H+ Hydrogen atom cation -0.461817 0.000000 -0.461817
H- Hydrogen atom anion -0.461817 0.000000 -0.461817
H Hydrogen atom -0.461817 0.000000 -0.461817
H+ Hydrogen atom cation -0.461817 0.000000 -0.461817
H- Hydrogen atom anion -0.461817 0.000000 -0.461817
H Hydrogen atom -0.461817 0.000000 -0.461817
H+ Hydrogen atom cation -0.461817 0.000000 -0.461817
SiN- silicon mononitride anion -344.208546 -343.746787 -0.461760
SiN Silicon nitride -344.208546 -343.746787 -0.461760
SiN+ silicon mononitride cation -344.208546 -343.746787 -0.461760
SO3- Sulfur trioxide anion -623.759192 -623.297870 -0.461322
SO3 Sulfur trioxide -623.759192 -623.297870 -0.461322
SO3+ Sulfur trioxide cation -623.759192 -623.297870 -0.461322
AlO- Aluminum monoxide anion -317.692696 -317.233703 -0.458993
AlO Aluminum monoxide -317.692696 -317.233703 -0.458993
AlO+ aluminum monoxide cation -317.692696 -317.233703 -0.458993
O3- Ozone anion -225.406454 -224.947627 -0.458826
O3 Ozone -225.406454 -224.947627 -0.458826
O3+ Ozone cation -225.406454 -224.947627 -0.458826
ClF- clorine monofluoride anion -559.942766 -559.484092 -0.458674
ClF Chlorine monofluoride -559.942766 -559.484092 -0.458674
ClF+ clorine monofluoride cation -559.942766 -559.484092 -0.458674
SiP- Silicon monophosphide anion -630.857151 -630.398752 -0.458399
SiP Silicon monophosphide -630.857151 -630.398752 -0.458399
SiP+ Silicon monophosphide cation -630.857151 -630.398752 -0.458399
BC- boron monocarbide anion -62.678411 -62.220704 -0.457707
BC boron monocarbide -62.678411 -62.220704 -0.457707
BC+ boron monocarbide cation -62.678411 -62.220704 -0.457707
NH- Imidogen anion -55.176290 -54.720331 -0.455959
NH Imidogen -55.176290 -54.720331 -0.455959
NH+ imidogen cation -55.176290 -54.720331 -0.455959
ClO- chlorine monoxide anion -535.292266 -534.836842 -0.455424
ClO Monochlorine monoxide -535.292266 -534.836842 -0.455424
ClO+ chlorine monoxide cation -535.292266 -534.836842 -0.455424
NF- nitrogen monofluorine anion -154.435915 -153.981903 -0.454012
NF nitrogen fluoride -154.435915 -153.981903 -0.454012
NF+ nitrogen monofluoirde cation -154.435915 -153.981903 -0.454012
SiC- silicon monocarbide anion -327.441453 -326.988321 -0.453131
SiC silicon monocarbide -327.441453 -326.988321 -0.453131
SiC+ silicon monocarbide cation -327.441453 -326.988321 -0.453131
NF3- Nitrogen trifluoride anion -354.078409 -353.625979 -0.452430
NF3 Nitrogen trifluoride -354.078409 -353.625979 -0.452430
NF3+ Nitrogen trifluoride cation -354.078409 -353.625979 -0.452430
CO2- Carbon dioxide anion -188.531443 -188.080038 -0.451405
CO2 Carbon dioxide -188.531443 -188.080038 -0.451405
CO2+ Carbon dioxide cation -188.531443 -188.080038 -0.451405
BN- boron nitride anion -79.414278 -78.963674 -0.450604
BN boron nitride -79.414278 -78.963674 -0.450604
BN+ boron nitride cation -79.414278 -78.963674 -0.450604
H2O- water anion -76.408953 -75.958808 -0.450145
H2O Water -76.408953 -75.958808 -0.450145
H2O+ water cation -76.408953 -75.958808 -0.450145
HF- hydrogen fluoride anion -100.300306 -99.850292 -0.450015
HF Hydrogen fluoride -100.300306 -99.850292 -0.450015
HF+ hydrogen fluoride cation -100.300306 -99.850292 -0.450015
SH- mercapto anion -398.806252 -398.357709 -0.448544
SH Mercapto radical -398.806252 -398.357709 -0.448544
SH+ sulfur monohydride cation -398.806252 -398.357709 -0.448544
ClO- chlorine monoxide anion -535.340889 -534.893991 -0.446898
ClO Monochlorine monoxide -535.340889 -534.893991 -0.446898
ClO+ chlorine monoxide cation -535.340889 -534.893991 -0.446898
C2- carbon diatomic anion -75.882402 -75.435844 -0.446557
C2 Carbon diatomic -75.882402 -75.435844 -0.446557
C2+ carbon diatomic cation -75.882402 -75.435844 -0.446557
S- Sulfur atom anion -398.165684 -397.719981 -0.445703
S Sulfur atom -398.165684 -397.719981 -0.445703
S+ Sulfur atom cation -398.165684 -397.719981 -0.445703
AlS- aluminum monosulfide anion -640.709402 -640.264058 -0.445344
AlS Aluminum sulfide -640.709402 -640.264058 -0.445344
AlS+ aluminum monosulfide cation -640.709402 -640.264058 -0.445344
NF3- Nitrogen trifluoride anion -354.071263 -353.625979 -0.445284
NF3 Nitrogen trifluoride -354.071263 -353.625979 -0.445284
NF3+ Nitrogen trifluoride cation -354.071263 -353.625979 -0.445284
CP- carbon monophosphide anion -379.293271 -378.848224 -0.445047
CP Carbon monophosphide -379.293271 -378.848224 -0.445047
CP+ carbon monophosphide cation -379.293271 -378.848224 -0.445047
H- Hydrogen atom anion -0.443957 0.000000 -0.443957
H Hydrogen atom -0.443957 0.000000 -0.443957
H+ Hydrogen atom cation -0.443957 0.000000 -0.443957
SO2- Sulfur dioxide anion -548.587479 -548.143779 -0.443700
SO2 Sulfur dioxide -548.587479 -548.143779 -0.443700
SO2+ Sulfur dioxide cation -548.587479 -548.143779 -0.443700
BH3- boron trihydride anion -26.613000 -26.169608 -0.443393
BH3 boron trihydride -26.613000 -26.169608 -0.443393
BH3+ boron trihydride cation -26.613000 -26.169608 -0.443393
BC- boron monocarbide anion -62.708820 -62.265607 -0.443212
BC boron monocarbide -62.708820 -62.265607 -0.443212
BC+ boron monocarbide cation -62.708820 -62.265607 -0.443212
O2- oxygen diatomic anion -150.299694 -149.857868 -0.441826
O2 Oxygen diatomic -150.299694 -149.857868 -0.441826
O2+ diatomic oxygen cation -150.299694 -149.857868 -0.441826
C3 carbon trimer -114.046064 -113.605154 -0.440909
C3+ carbon trimer cation -114.046064 -113.605154 -0.440909
BH3- boron trihydride anion -26.576083 -26.135237 -0.440845
BH3 boron trihydride -26.576083 -26.135237 -0.440845
BH3+ boron trihydride cation -26.576083 -26.135237 -0.440845
SCl- sulfur monochloride anion -858.421770 -857.981062 -0.440708
SCl sulfur monochloride -858.421770 -857.981062 -0.440708
SCl+ sulfur monochloride cation -858.421770 -857.981062 -0.440708
H- Hydrogen atom anion -0.438966 0.000000 -0.438966
H Hydrogen atom -0.438966 0.000000 -0.438966
H+ Hydrogen atom cation -0.438966 0.000000 -0.438966
H- Hydrogen atom anion -0.438966 0.000000 -0.438966
H Hydrogen atom -0.438966 0.000000 -0.438966
H+ Hydrogen atom cation -0.438966 0.000000 -0.438966
HO2- Hydroperoxy anion -150.899154 -150.462595 -0.436559
HO2 Hydroperoxy radical -150.899154 -150.462595 -0.436559
HO2+ Hydroperoxy cation -150.899154 -150.462595 -0.436559
CH3CN- acetonitrile anion -132.754928 -132.318628 -0.436300
CH3CN Acetonitrile -132.754928 -132.318628 -0.436300
CH3CN+ Acetonitrile cation -132.754928 -132.318628 -0.436300
Br- Bromine atom anion -2571.656918 -2571.220726 -0.436192
Br Bromine atom -2571.656918 -2571.220726 -0.436192
Br+ Bromine atom cation -2571.656918 -2571.220726 -0.436192
NF3- Nitrogen trifluoride anion -354.061683 -353.625979 -0.435704
NF3 Nitrogen trifluoride -354.061683 -353.625979 -0.435704
NF3+ Nitrogen trifluoride cation -354.061683 -353.625979 -0.435704
CH3CN- acetonitrile anion -132.754928 -132.320116 -0.434812
CH3CN Acetonitrile -132.754928 -132.320116 -0.434812
CH3CN+ Acetonitrile cation -132.754928 -132.320116 -0.434812
PN- phosphorus nitride anion -396.061835 -395.627250 -0.434585
PN Phosphorus mononitride -396.061835 -395.627250 -0.434585
PN+ phosphorus nitride cation -396.061835 -395.627250 -0.434585
HCl- hydrogen chloride anion -460.762791 -460.328455 -0.434336
HCl Hydrogen chloride -460.762791 -460.328455 -0.434336
HCl+ hydrogen chloride cation -460.762791 -460.328455 -0.434336
SF- sulfur monofluoride anion -498.011920 -497.578359 -0.433561
SF Monosulfur monofluoride -498.011920 -497.578359 -0.433561
SF+ sulfur monofluoride cation -498.011920 -497.578359 -0.433561
NH2- amino anion -55.840836 -55.410216 -0.430620
NH2 Amino radical -55.840836 -55.410216 -0.430620
NH2+ Amino cation -55.840836 -55.410216 -0.430620
C2- carbon diatomic anion -75.918384 -75.487987 -0.430398
C2 Carbon diatomic -75.918384 -75.487987 -0.430398
C2+ carbon diatomic cation -75.918384 -75.487987 -0.430398
ClOO chloroperoxy radical -610.463903 -610.033518 -0.430385
ClOO+ chloroperoxy cation -610.463903 -610.033518 -0.430385
HBr- hydrogen bromide anion -2572.301284 -2571.871690 -0.429595
HBr hydrogen bromide -2572.301284 -2571.871690 -0.429595
HBr+ hydrogen bromide cation -2572.301284 -2571.871690 -0.429595
BrF- bromine fluoride anion -2671.471890 -2671.043267 -0.428623
BrF Bromine monofluoride -2671.471890 -2671.043267 -0.428623
BrF+ bromine fluoride cation -2671.471890 -2671.043267 -0.428623
SF- sulfur monofluoride anion -497.948872 -497.520491 -0.428381
SF Monosulfur monofluoride -497.948872 -497.520491 -0.428381
SF+ sulfur monofluoride cation -497.948872 -497.520491 -0.428381
NF2 Difluoroamino radical -254.262475 -253.837074 -0.425401
NF2+ Difluoroamino cation -254.262475 -253.837074 -0.425401
HO2- Hydroperoxy anion -150.886985 -150.462595 -0.424389
HO2 Hydroperoxy radical -150.886985 -150.462595 -0.424389
HO2+ Hydroperoxy cation -150.886985 -150.462595 -0.424389
Cl2- chlorine diatomic anion -920.349934 -919.926639 -0.423295
Cl2 Chlorine diatomic -920.349934 -919.926639 -0.423295
Cl2+ chlorine diatomic cation -920.349934 -919.926639 -0.423295
LiO- lithium oxide anion -82.688210 -82.265142 -0.423068
LiO lithium oxide -82.688210 -82.265142 -0.423068
LiO+ lithium oxide cation -82.688210 -82.265142 -0.423068
SiP- Silicon monophosphide anion -630.857151 -630.435886 -0.421265
SiP Silicon monophosphide -630.857151 -630.435886 -0.421265
SiP+ Silicon monophosphide cation -630.857151 -630.435886 -0.421265
CO- carbon monoxide anion -113.214591 -112.793564 -0.421027
CO Carbon monoxide -113.214591 -112.793564 -0.421027
CO+ carbon monoxide cation -113.214591 -112.793564 -0.421027
NF- nitrogen monofluorine anion -154.402719 -153.981903 -0.420815
NF nitrogen fluoride -154.402719 -153.981903 -0.420815
NF+ nitrogen monofluoirde cation -154.402719 -153.981903 -0.420815
HCN- Hydrogen cyanide anion -93.352921 -92.932359 -0.420562
HCN Hydrogen cyanide -93.352921 -92.932359 -0.420562
HCN+ hydrogen cyanide cation -93.352921 -92.932359 -0.420562
BN- boron nitride anion -79.383942 -78.963674 -0.420268
BN boron nitride -79.383942 -78.963674 -0.420268
BN+ boron nitride cation -79.383942 -78.963674 -0.420268
PN- phosphorus nitride anion -396.047404 -395.627250 -0.420154
PN Phosphorus mononitride -396.047404 -395.627250 -0.420154
PN+ phosphorus nitride cation -396.047404 -395.627250 -0.420154
H2- hydrogen diatomic anion -1.018075 -0.598151 -0.419924
H2 Hydrogen diatomic -1.018075 -0.598151 -0.419924
H2+ Hydrogen cation -1.018075 -0.598151 -0.419924
HSe- selenium monohydride anion -2399.931846 -2399.512008 -0.419838
HSe Selenium monohydride -2399.931846 -2399.512008 -0.419838
HSe+ selenium monohydride cation -2399.931846 -2399.512008 -0.419838
BeO- Beryllium monoxide anion -89.960710 -89.540911 -0.419799
BeO beryllium oxide -89.960710 -89.540911 -0.419799
BeO+ Beryllium monoxide cation -89.960710 -89.540911 -0.419799
BF3- Borane, trifluoro- anion -324.429033 -324.009339 -0.419694
BF3 Borane, trifluoro- -324.429033 -324.009339 -0.419694
BF3+ boron trifluoride cation -324.429033 -324.009339 -0.419694
LiO- lithium oxide anion -82.684450 -82.265142 -0.419308
LiO lithium oxide -82.684450 -82.265142 -0.419308
LiO+ lithium oxide cation -82.684450 -82.265142 -0.419308
C- Carbon atom anion -37.846279 -37.427310 -0.418969
C Carbon atom -37.846279 -37.427310 -0.418969
C+ Carbon atom cation -37.846279 -37.427310 -0.418969
BS- boron monosulfide anion -422.969848 -422.550992 -0.418856
BS boron sulfide -422.969848 -422.550992 -0.418856
BS+ boron monosulfide cation -422.969848 -422.550992 -0.418856
SiO- silicon monoxide anion -364.720016 -364.301847 -0.418169
SiO Silicon monoxide -364.720016 -364.301847 -0.418169
SiO+ silicon monoxide cation -364.720016 -364.301847 -0.418169
CS- carbon monosulfide anion -436.209305 -435.791148 -0.418157
CS carbon monosulfide -436.209305 -435.791148 -0.418157
CS+ carbon monosulfide cation -436.209305 -435.791148 -0.418157
HSe- selenium monohydride anion -2399.991740 -2399.574070 -0.417670
HSe Selenium monohydride -2399.991740 -2399.574070 -0.417670
HSe+ selenium monohydride cation -2399.991740 -2399.574070 -0.417670
C- Carbon atom anion -37.844272 -37.427310 -0.416961
C Carbon atom -37.844272 -37.427310 -0.416961
C+ Carbon atom cation -37.844272 -37.427310 -0.416961
LiO- lithium oxide anion -82.681264 -82.265142 -0.416122
LiO lithium oxide -82.681264 -82.265142 -0.416122
LiO+ lithium oxide cation -82.681264 -82.265142 -0.416122
C2H- Ethynyl anion -76.604442 -76.189369 -0.415073
C2H Ethynyl radical -76.604442 -76.189369 -0.415073
C2H+ Ethynyl cation -76.604442 -76.189369 -0.415073
NH- Imidogen anion -55.134223 -54.720331 -0.413892
NH Imidogen -55.134223 -54.720331 -0.413892
NH+ imidogen cation -55.134223 -54.720331 -0.413892
BC- boron monocarbide anion -62.678411 -62.265607 -0.412804
BC boron monocarbide -62.678411 -62.265607 -0.412804
BC+ boron monocarbide cation -62.678411 -62.265607 -0.412804
Se- Selenium atom anion -2399.359277 -2398.948296 -0.410980
Se Selenium atom -2399.359277 -2398.948296 -0.410980
Se+ Selenium atom cation -2399.359277 -2398.948296 -0.410980
OCS Carbonyl sulfide -511.535549 -511.125654 -0.409895
OCS+ Carbonyl sulfide cation -511.535549 -511.125654 -0.409895
AlH3- aluminum trihydride anion -244.204660 -243.794809 -0.409851
AlH3 aluminum trihydride -244.204660 -243.794809 -0.409851
AlH3+ aluminum trihydride cation -244.204660 -243.794809 -0.409851
NH2- amino anion -55.872619 -55.462770 -0.409849
NH2 Amino radical -55.872619 -55.462770 -0.409849
NH2+ Amino cation -55.872619 -55.462770 -0.409849
AlH3- aluminum trihydride anion -244.204301 -243.794809 -0.409492
AlH3 aluminum trihydride -244.204301 -243.794809 -0.409492
AlH3+ aluminum trihydride cation -244.204301 -243.794809 -0.409492
S2- sulfur dimer anion -796.416207 -796.007376 -0.408831
S2 Sulfur diatomic -796.416207 -796.007376 -0.408831
S2+ sulfur dimer cation -796.416207 -796.007376 -0.408831
He- Helium atom anion -1.993158 -1.584559 -0.408599
He Helium atom -1.993158 -1.584559 -0.408599
He+ Helium atom cation -1.993158 -1.584559 -0.408599
NO2- Nitrogen dioxide anion -205.120386 -204.711827 -0.408559
NO2 Nitrogen dioxide -205.120386 -204.711827 -0.408559
NO2+ Nitrogen dioxide cation -205.120386 -204.711827 -0.408559
BeS- Beryllium monosulfide anion -412.971331 -412.563213 -0.408117
BeS beryllium sulfide -412.971331 -412.563213 -0.408117
BeS+ Beryllium monosulfide cation -412.971331 -412.563213 -0.408117
HCCCN Cyanoacetylene -169.572218 -169.164405 -0.407812
HCCCN+ Cyanoacetylene cation -169.572218 -169.164405 -0.407812
AlN- aluminum mononitride anion -297.102978 -296.695378 -0.407600
AlN Aluminum nitride -297.102978 -296.695378 -0.407600
AlN+ aluminum mononitride cation -297.102978 -296.695378 -0.407600
BH3- boron trihydride anion -26.576083 -26.169608 -0.406475
BH3 boron trihydride -26.576083 -26.169608 -0.406475
BH3+ boron trihydride cation -26.576083 -26.169608 -0.406475
BC- boron monocarbide anion -62.627134 -62.220704 -0.406430
BC boron monocarbide -62.627134 -62.220704 -0.406430
BC+ boron monocarbide cation -62.627134 -62.220704 -0.406430
NCl- nitrogen monochloride anion -514.824237 -514.417978 -0.406259
NCl nitrogen monochloride -514.824237 -514.417978 -0.406259
NCl+ nitrogen monochloride cation -514.824237 -514.417978 -0.406259
BeN- Beryllium mononitride anion -69.341448 -68.935679 -0.405768
BeN Beryllium mononitride -69.341448 -68.935679 -0.405768
BeN+ Beryllium mononitride cation -69.341448 -68.935679 -0.405768
NCl- nitrogen monochloride anion -514.823348 -514.417978 -0.405370
NCl nitrogen monochloride -514.823348 -514.417978 -0.405370
NCl+ nitrogen monochloride cation -514.823348 -514.417978 -0.405370
CF2- Difluoromethylene anion -237.689754 -237.284730 -0.405024
CF2 Difluoromethylene -237.689754 -237.284730 -0.405024
CF2+ Difluoromethylene cation -237.689754 -237.284730 -0.405024
SO- sulfur monoxide anion -473.371937 -472.967124 -0.404812
SO Sulfur monoxide -473.371937 -472.967124 -0.404812
SO+ sulfur monoxide cation -473.371937 -472.967124 -0.404812
CS- carbon monosulfide anion -436.195940 -435.791148 -0.404791
CS carbon monosulfide -436.195940 -435.791148 -0.404791
CS+ carbon monosulfide cation -436.195940 -435.791148 -0.404791
C4 Carbon tetramer -152.092273 -151.687622 -0.404650
C4+ Carbon tetramer cation -152.092273 -151.687622 -0.404650
HBr- hydrogen bromide anion -2572.275514 -2571.871690 -0.403825
HBr hydrogen bromide -2572.275514 -2571.871690 -0.403825
HBr+ hydrogen bromide cation -2572.275514 -2571.871690 -0.403825
C2H2 Acetylene -77.325645 -76.921978 -0.403668
C2H2+ acetylene cation -77.325645 -76.921978 -0.403668
SCl- sulfur monochloride anion -858.337608 -857.934385 -0.403223
SCl sulfur monochloride -858.337608 -857.934385 -0.403223
SCl+ sulfur monochloride cation -858.337608 -857.934385 -0.403223
BrCl- bromine chloride anion -3031.875740 -3031.473542 -0.402198
BrCl Bromine monochloride -3031.875740 -3031.473542 -0.402198
BrCl+ bromine chloride cation -3031.875740 -3031.473542 -0.402198
CH- methylidyne anion -38.481502 -38.081438 -0.400064
CH Methylidyne -38.481502 -38.081438 -0.400064
CH+ Methylidyne cation -38.481502 -38.081438 -0.400064
LiF- lithium fluoride anion -107.420475 -107.020644 -0.399831
LiF lithium fluoride -107.420475 -107.020644 -0.399831
LiF+ lithium fluoride cation -107.420475 -107.020644 -0.399831
SeO- selenium monoxide anion -2474.561752 -2474.162329 -0.399422
SeO Selenium monoxide -2474.561752 -2474.162329 -0.399422
SeO+ selenium monoxide cation -2474.561752 -2474.162329 -0.399422
ClO- chlorine monoxide anion -535.292266 -534.893991 -0.398275
ClO Monochlorine monoxide -535.292266 -534.893991 -0.398275
ClO+ chlorine monoxide cation -535.292266 -534.893991 -0.398275
SiS- silicon monosulfide anion -687.707621 -687.309692 -0.397929
SiS silicon monosulfide -687.707621 -687.309692 -0.397929
SiS+ silicon monosulfide cation -687.707621 -687.309692 -0.397929
PO2- Phosphorus dioxide anion -491.770891 -491.372998 -0.397893
PO2 Phosphorus dioxide -491.770891 -491.372998 -0.397893
PO2+ Phosphorus dioxide cation -491.770891 -491.372998 -0.397893
CH- methylidyne anion -38.479163 -38.081438 -0.397725
CH Methylidyne -38.479163 -38.081438 -0.397725
CH+ Methylidyne cation -38.479163 -38.081438 -0.397725
CSe- Carbon monoselenide anion -2437.378271 -2436.980661 -0.397610
CSe Carbon monoselenide -2437.378271 -2436.980661 -0.397610
CSe+ Carbon monoselenide cation -2437.378271 -2436.980661 -0.397610
SiO- silicon monoxide anion -364.699296 -364.301847 -0.397449
SiO Silicon monoxide -364.699296 -364.301847 -0.397449
SiO+ silicon monoxide cation -364.699296 -364.301847 -0.397449
OClO- Chlorine dioxide anion -610.417258 -610.020063 -0.397195
OClO Chlorine dioxide -610.417258 -610.020063 -0.397195
OClO+ Chlorine dioxide cation -610.417258 -610.020063 -0.397195
LiF- lithium fluoride anion -107.417614 -107.020644 -0.396969
LiF lithium fluoride -107.417614 -107.020644 -0.396969
LiF+ lithium fluoride cation -107.417614 -107.020644 -0.396969
HCCF Fluoroacetylene -176.536265 -176.139299 -0.396966
HCCF+ fluoroacetylene cation -176.536265 -176.139299 -0.396966
P2- phosphorus dimer anion -682.704002 -682.307086 -0.396915
P2 Phosphorus diatomic -682.704002 -682.307086 -0.396915
P2+ phosphorus dimer cation -682.704002 -682.307086 -0.396915
SeS- selenium monosulfide anion -2797.613671 -2797.217026 -0.396645
SeS Selenium monosulfide -2797.613671 -2797.217026 -0.396645
SeS+ selenium monosulfide cation -2797.613671 -2797.217026 -0.396645
BF- Boron monofluoride anion -124.658039 -124.261701 -0.396338
BF Boron monofluoride -124.658039 -124.261701 -0.396338
BF+ Boron monofluoride cation -124.658039 -124.261701 -0.396338
CP- carbon monophosphide anion -379.293271 -378.897891 -0.395379
CP Carbon monophosphide -379.293271 -378.897891 -0.395379
CP+ carbon monophosphide cation -379.293271 -378.897891 -0.395379
C2- carbon diatomic anion -75.882402 -75.487987 -0.394415
C2 Carbon diatomic -75.882402 -75.487987 -0.394415
C2+ carbon diatomic cation -75.882402 -75.487987 -0.394415
H2CO- formaldehyde anion -114.500471 -114.106614 -0.393857
H2CO Formaldehyde -114.500471 -114.106614 -0.393857
H2CO+ formaldehyde cation -114.500471 -114.106614 -0.393857
CSe- Carbon monoselenide anion -2437.374114 -2436.980661 -0.393454
CSe Carbon monoselenide -2437.374114 -2436.980661 -0.393454
CSe+ Carbon monoselenide cation -2437.374114 -2436.980661 -0.393454
HNO2 Nitrous acid -205.695212 -205.302736 -0.392476
HNO2+ nitrous acid cation -205.695212 -205.302736 -0.392476
CH3OO- methylperoxy anion -190.215742 -189.823571 -0.392171
CH3OO methylperoxy radical -190.215742 -189.823571 -0.392171
CH3OO+ methylperoxy cation -190.215742 -189.823571 -0.392171
P- Phosphorus atom anion -341.268589 -340.876596 -0.391993
P Phosphorus atom -341.268589 -340.876596 -0.391993
P+ Phosphorus atom cation -341.268589 -340.876596 -0.391993
CH3OO- methylperoxy anion -190.215231 -189.823571 -0.391660
CH3OO methylperoxy radical -190.215231 -189.823571 -0.391660
CH3OO+ methylperoxy cation -190.215231 -189.823571 -0.391660
BeN- Beryllium mononitride anion -69.326464 -68.935679 -0.390785
BeN Beryllium mononitride -69.326464 -68.935679 -0.390785
BeN+ Beryllium mononitride cation -69.326464 -68.935679 -0.390785
PH- phosphorus monohydride anion -341.894433 -341.503708 -0.390725
PH phosphorus monohydride -341.894433 -341.503708 -0.390725
PH+ phosphorus monohydride cation -341.894433 -341.503708 -0.390725
AlH3- aluminum trihydride anion -244.204660 -243.815577 -0.389083
AlH3 aluminum trihydride -244.204660 -243.815577 -0.389083
AlH3+ aluminum trihydride cation -244.204660 -243.815577 -0.389083
CCl2- dichloromethylene anion -958.438300 -958.049245 -0.389055
CCl2 dichloromethylene -958.438300 -958.049245 -0.389055
CCl2+ dichloromethylene cation -958.438300 -958.049245 -0.389055
B2- Boron diatomic anion -49.457342 -49.068409 -0.388934
B2 Boron diatomic -49.457342 -49.068409 -0.388934
B2+ Boron diatomic cation -49.457342 -49.068409 -0.388934
AlH3- aluminum trihydride anion -244.204301 -243.815577 -0.388725
AlH3 aluminum trihydride -244.204301 -243.815577 -0.388725
AlH3+ aluminum trihydride cation -244.204301 -243.815577 -0.388725
PH2- Phosphino anion -342.528607 -342.140091 -0.388515
PH2 Phosphino radical -342.528607 -342.140091 -0.388515
PH2+ Phosphino cation -342.528607 -342.140091 -0.388515
C3O2 Carbon suboxide -264.719971 -264.332594 -0.387377
C3O2+ Carbon suboxide cation -264.719971 -264.332594 -0.387377
SiS- silicon monosulfide anion -687.695073 -687.309692 -0.385381
SiS silicon monosulfide -687.695073 -687.309692 -0.385381
SiS+ silicon monosulfide cation -687.695073 -687.309692 -0.385381
SO- sulfur monoxide anion -473.352481 -472.967124 -0.385357
SO Sulfur monoxide -473.352481 -472.967124 -0.385357
SO+ sulfur monoxide cation -473.352481 -472.967124 -0.385357
S- Sulfur atom anion -398.104993 -397.719981 -0.385012
S Sulfur atom -398.104993 -397.719981 -0.385012
S+ Sulfur atom cation -398.104993 -397.719981 -0.385012
Br2- bromine diatomic anion -5143.399112 -5143.014513 -0.384599
Br2 Bromine diatomic -5143.399112 -5143.014513 -0.384599
Br2+ bromine diatomic cation -5143.399112 -5143.014513 -0.384599
Se2- selenium dimer anion -4798.812379 -4798.428130 -0.384249
Se2 Selenium diatomic -4798.812379 -4798.428130 -0.384249
Se2+ selenium dimer cation -4798.812379 -4798.428130 -0.384249
SH- mercapto anion -398.740028 -398.357709 -0.382319
SH Mercapto radical -398.740028 -398.357709 -0.382319
SH+ sulfur monohydride cation -398.740028 -398.357709 -0.382319
P2- phosphorus dimer anion -682.688943 -682.307086 -0.381857
P2 Phosphorus diatomic -682.688943 -682.307086 -0.381857
P2+ phosphorus dimer cation -682.688943 -682.307086 -0.381857
P- Phosphorus atom anion -341.258080 -340.876596 -0.381483
P Phosphorus atom -341.258080 -340.876596 -0.381483
P+ Phosphorus atom cation -341.258080 -340.876596 -0.381483
H2S- Hydrogen sulfide anion -399.385435 -399.004261 -0.381174
H2S Hydrogen sulfide -399.385435 -399.004261 -0.381174
H2S+ Hydrogen sulfide cation -399.385435 -399.004261 -0.381174
C3H3N acrylonitrile -170.831551 -170.450555 -0.380996
C3H3N+ acrylonitrile cation -170.831551 -170.450555 -0.380996
NF- nitrogen monofluorine anion -154.362056 -153.981903 -0.380153
NF nitrogen fluoride -154.362056 -153.981903 -0.380153
NF+ nitrogen monofluoirde cation -154.362056 -153.981903 -0.380153
BeN- Beryllium mononitride anion -69.314677 -68.935679 -0.378998
BeN Beryllium mononitride -69.314677 -68.935679 -0.378998
BeN+ Beryllium mononitride cation -69.314677 -68.935679 -0.378998
CF2- Difluoromethylene anion -237.663065 -237.284730 -0.378335
CF2 Difluoromethylene -237.663065 -237.284730 -0.378335
CF2+ Difluoromethylene cation -237.663065 -237.284730 -0.378335
NH2- amino anion -55.840836 -55.462770 -0.378066
NH2 Amino radical -55.840836 -55.462770 -0.378066
NH2+ Amino cation -55.840836 -55.462770 -0.378066
AlO- Aluminum monoxide anion -317.611324 -317.233703 -0.377621
AlO Aluminum monoxide -317.611324 -317.233703 -0.377621
AlO+ aluminum monoxide cation -317.611324 -317.233703 -0.377621
CH2- methylene anion -39.150019 -38.772595 -0.377424
CH2 Methylene -39.150019 -38.772595 -0.377424
CH2+ methylene cation -39.150019 -38.772595 -0.377424
PCl- phosphorus monochloride anion -801.544237 -801.167106 -0.377131
PCl phosphorus chloride -801.544237 -801.167106 -0.377131
PCl+ phosphorus monochloride cation -801.544237 -801.167106 -0.377131
H2O2 Hydrogen peroxide -151.533213 -151.158622 -0.374591
H2O2+ Hydrogen peroxide cation -151.533213 -151.158622 -0.374591
LiCl- lithium chloride anion -467.814180 -467.439783 -0.374396
LiCl lithium chloride -467.814180 -467.439783 -0.374396
LiCl+ lithium chloride cation -467.814180 -467.439783 -0.374396
PH- phosphorus monohydride anion -341.877168 -341.503708 -0.373459
PH phosphorus monohydride -341.877168 -341.503708 -0.373459
PH+ phosphorus monohydride cation -341.877168 -341.503708 -0.373459
HPO HPO -417.138179 -416.764848 -0.373331
HPO+ HPO cation -417.138179 -416.764848 -0.373331
SeO- selenium monoxide anion -2474.535292 -2474.162329 -0.372963
SeO Selenium monoxide -2474.535292 -2474.162329 -0.372963
SeO+ selenium monoxide cation -2474.535292 -2474.162329 -0.372963
HNO- Nitrosyl hydride anion -130.468131 -130.095588 -0.372544
HNO Nitrosyl hydride -130.468131 -130.095588 -0.372544
HNO+ Nitrosyl hydride cation -130.468131 -130.095588 -0.372544
C2H4- Ethylene anion -78.587457 -78.215556 -0.371901
C2H4 Ethylene -78.587457 -78.215556 -0.371901
C2H4+ Ethylene cation -78.587457 -78.215556 -0.371901
SiN- silicon mononitride anion -344.118286 -343.746787 -0.371499
SiN Silicon nitride -344.118286 -343.746787 -0.371499
SiN+ silicon mononitride cation -344.118286 -343.746787 -0.371499
Si2- silcon dimer anion -578.921118 -578.549635 -0.371483
Si2 Silicon diatomic -578.921118 -578.549635 -0.371483
Si2+ silcon dimer cation -578.921118 -578.549635 -0.371483
SF- sulfur monofluoride anion -497.948872 -497.578359 -0.370513
SF Monosulfur monofluoride -497.948872 -497.578359 -0.370513
SF+ sulfur monofluoride cation -497.948872 -497.578359 -0.370513
CS2 Carbon disulfide -834.488872 -834.118808 -0.370065
CS2+ Carbon disulfide cation -834.488872 -834.118808 -0.370065
NS- nitrogen sulfide anion -452.892853 -452.526155 -0.366698
NS Mononitrogen monosulfide -452.892853 -452.526155 -0.366698
NS+ nitrogen sulfide cation -452.892853 -452.526155 -0.366698
CCl3- Trichloromethyl anion -1418.690914 -1418.325580 -0.365334
CCl3 Trichloromethyl radical -1418.690914 -1418.325580 -0.365334
CCl3+ Trichloromethyl cation -1418.690914 -1418.325580 -0.365334
CH- methylidyne anion -38.446615 -38.081438 -0.365177
CH Methylidyne -38.446615 -38.081438 -0.365177
CH+ Methylidyne cation -38.446615 -38.081438 -0.365177
SF2- sulfur difluoride anion -597.798134 -597.433990 -0.364144
SF2 sulfur difluoride -597.798134 -597.433990 -0.364144
SF2+ sulfur difluoride cation -597.798134 -597.433990 -0.364144
PH2- Phosphino anion -342.504213 -342.140091 -0.364122
PH2 Phosphino radical -342.504213 -342.140091 -0.364122
PH2+ Phosphino cation -342.504213 -342.140091 -0.364122
NH3 Ammonia -56.547948 -56.184378 -0.363570
NH3+ ammonia cation -56.547948 -56.184378 -0.363570
NaF- sodium fluoride anion -262.173225 -261.811367 -0.361858
NaF sodium fluoride -262.173225 -261.811367 -0.361858
NaF+ sodium fluoride cation -262.173225 -261.811367 -0.361858
BC- boron monocarbide anion -62.627134 -62.265607 -0.361527
BC boron monocarbide -62.627134 -62.265607 -0.361527
BC+ boron monocarbide cation -62.627134 -62.265607 -0.361527
AsH3 Arsine -2235.537479 -2235.176002 -0.361477
AsH3+ Arsine cation -2235.537479 -2235.176002 -0.361477
SiH2- silicon dihydride anion -290.642925 -290.282320 -0.360605
SiH2 silicon dihydride -290.642925 -290.282320 -0.360605
SiH2+ silicon dihydride cation -290.642925 -290.282320 -0.360605
NO2- Nitrogen dioxide anion -205.072205 -204.711827 -0.360378
NO2 Nitrogen dioxide -205.072205 -204.711827 -0.360378
NO2+ Nitrogen dioxide cation -205.072205 -204.711827 -0.360378
PH3 Phosphine -343.140283 -342.780511 -0.359772
PH3+ Phosphine cation -343.140283 -342.780511 -0.359772
BeO- Beryllium monoxide anion -89.900370 -89.540911 -0.359459
BeO beryllium oxide -89.900370 -89.540911 -0.359459
BeO+ Beryllium monoxide cation -89.900370 -89.540911 -0.359459
HNO- Nitrosyl hydride anion -130.455002 -130.095588 -0.359414
HNO Nitrosyl hydride -130.455002 -130.095588 -0.359414
HNO+ Nitrosyl hydride cation -130.455002 -130.095588 -0.359414
BCl- boron monochloride anion -484.978340 -484.618953 -0.359388
BCl boron monochloride -484.978340 -484.618953 -0.359388
BCl+ boron monochloride cation -484.978340 -484.618953 -0.359388
CCl- carbon monochloride anion -498.158731 -497.799872 -0.358859
CCl carbon monochloride -498.158731 -497.799872 -0.358859
CCl+ carbon monochloride cation -498.158731 -497.799872 -0.358859
NaCl- sodium chloride anion -622.588475 -622.229712 -0.358763
NaCl Sodium Chloride -622.588475 -622.229712 -0.358763
NaCl+ sodium chloride cation -622.588475 -622.229712 -0.358763
H2Se Hydrogen selenide -2400.567476 -2400.209065 -0.358411
H2Se+ Hydrogen selenide cation -2400.567476 -2400.209065 -0.358411
NO- nitric oxide anion -129.888156 -129.529789 -0.358366
NO Nitric oxide -129.888156 -129.529789 -0.358366
NO+ nitric oxide cation -129.888156 -129.529789 -0.358366
Se- Selenium atom anion -2399.306135 -2398.948296 -0.357839
Se Selenium atom -2399.306135 -2398.948296 -0.357839
Se+ Selenium atom cation -2399.306135 -2398.948296 -0.357839
HSe- selenium monohydride anion -2399.931846 -2399.574070 -0.357776
HSe Selenium monohydride -2399.931846 -2399.574070 -0.357776
HSe+ selenium monohydride cation -2399.931846 -2399.574070 -0.357776
SCl- sulfur monochloride anion -858.337608 -857.981062 -0.356546
SCl sulfur monochloride -858.337608 -857.981062 -0.356546
SCl+ sulfur monochloride cation -858.337608 -857.981062 -0.356546
LiCl- lithium chloride anion -467.796285 -467.439783 -0.356502
LiCl lithium chloride -467.796285 -467.439783 -0.356502
LiCl+ lithium chloride cation -467.796285 -467.439783 -0.356502
CH2- methylene anion -39.128901 -38.772595 -0.356305
CH2 Methylene -39.128901 -38.772595 -0.356305
CH2+ methylene cation -39.128901 -38.772595 -0.356305
LiBr- lithium bromide cation -2579.331003 -2578.974908 -0.356095
LiBr Lithium Bromide -2579.331003 -2578.974908 -0.356095
LiBr+ lithium bromide anion -2579.331003 -2578.974908 -0.356095
MgS- magnesium sulfide anion -598.327320 -597.971339 -0.355982
MgS magnesium sulfide -598.327320 -597.971339 -0.355982
MgS+ magnesium sulfide cation -598.327320 -597.971339 -0.355982
CH2- methylene anion -39.128249 -38.772595 -0.355654
CH2 Methylene -39.128249 -38.772595 -0.355654
CH2+ methylene cation -39.128249 -38.772595 -0.355654
S2- sulfur dimer anion -796.362880 -796.007376 -0.355504
S2 Sulfur diatomic -796.362880 -796.007376 -0.355504
S2+ sulfur dimer cation -796.362880 -796.007376 -0.355504
PF- phosphorus monofluoride anion -441.146443 -440.791376 -0.355066
PF phosphorus monofluoride -441.146443 -440.791376 -0.355066
PF+ phosphorus monofluoride cation -441.146443 -440.791376 -0.355066
SiP- Silicon monophosphide anion -630.753742 -630.398752 -0.354990
SiP Silicon monophosphide -630.753742 -630.398752 -0.354990
SiP+ Silicon monophosphide cation -630.753742 -630.398752 -0.354990
C2Cl2 dichloroacetylene -996.499042 -996.144301 -0.354741
C2Cl2+ dichloroacetylene cation -996.499042 -996.144301 -0.354741
AlS- aluminum monosulfide anion -640.618558 -640.264058 -0.354500
AlS Aluminum sulfide -640.618558 -640.264058 -0.354500
AlS+ aluminum monosulfide cation -640.618558 -640.264058 -0.354500
AlF- Aluminum monofluoride anion -342.334211 -341.980012 -0.354199
AlF Aluminum monofluoride -342.334211 -341.980012 -0.354199
AlF+ Aluminum monofluoride cation -342.334211 -341.980012 -0.354199
PS- phosphorus monosulfide anion -739.570222 -739.218677 -0.351545
PS phosphorus sulfide -739.570222 -739.218677 -0.351545
PS+ phosphorus monosulfide cation -739.570222 -739.218677 -0.351545
C4H2 Diacetylene -153.481644 -153.130127 -0.351516
C4H2+ diacetlyene cation -153.481644 -153.130127 -0.351516
AlN- aluminum mononitride anion -297.046208 -296.695378 -0.350830
AlN Aluminum nitride -297.046208 -296.695378 -0.350830
AlN+ aluminum mononitride cation -297.046208 -296.695378 -0.350830
PF- phosphorus monofluoride anion -441.141751 -440.791376 -0.350375
PF phosphorus monofluoride -441.141751 -440.791376 -0.350375
PF+ phosphorus monofluoride cation -441.141751 -440.791376 -0.350375
C2HF3 Trifluoroethylene -376.273233 -375.923028 -0.350205
C2HF3+ Trifluoroethylene cation -376.273233 -375.923028 -0.350205
BH- boron monohydride anion -25.287892 -24.938004 -0.349888
BH Boron monohydride -25.287892 -24.938004 -0.349888
BH+ boron monohydride cation -25.287892 -24.938004 -0.349888
CH2CO Ketene -152.598471 -152.251903 -0.346567
CH2CO+ Ketene cation -152.598471 -152.251903 -0.346567
CF3- Trifluoromethyl anion -337.572503 -337.226294 -0.346209
CF3 Trifluoromethyl radical -337.572503 -337.226294 -0.346209
CF3+ Trifluoromethyl cation -337.572503 -337.226294 -0.346209
NaF- sodium fluoride anion -262.157453 -261.811367 -0.346086
NaF sodium fluoride -262.157453 -261.811367 -0.346086
NaF+ sodium fluoride cation -262.157453 -261.811367 -0.346086
MgCl- magnesium monochloride anion -660.382966 -660.037604 -0.345362
MgCl magnesium monochloride -660.382966 -660.037604 -0.345362
MgCl+ magnesium monochloride cation -660.382966 -660.037604 -0.345362
B2- Boron diatomic anion -49.413435 -49.068409 -0.345027
B2 Boron diatomic -49.413435 -49.068409 -0.345027
B2+ Boron diatomic cation -49.413435 -49.068409 -0.345027
PCl- phosphorus monochloride anion -801.511590 -801.167106 -0.344484
PCl phosphorus chloride -801.511590 -801.167106 -0.344484
PCl+ phosphorus monochloride cation -801.511590 -801.167106 -0.344484
SeS- selenium monosulfide anion -2797.560631 -2797.217026 -0.343604
SeS Selenium monosulfide -2797.560631 -2797.217026 -0.343604
SeS+ selenium monosulfide cation -2797.560631 -2797.217026 -0.343604
NaBr- sodium bromide anion -2734.105509 -2733.762423 -0.343086
NaBr Sodium Bromide -2734.105509 -2733.762423 -0.343086
NaBr+ sodium bromide cation -2734.105509 -2733.762423 -0.343086
AlCl- aluminum monochloride anion -702.687329 -702.345051 -0.342278
AlCl Aluminum monochloride -702.687329 -702.345051 -0.342278
AlCl+ aluminum monochloride cation -702.687329 -702.345051 -0.342278
SiC- silicon monocarbide anion -327.329692 -326.988321 -0.341371
SiC silicon monocarbide -327.329692 -326.988321 -0.341371
SiC+ silicon monocarbide cation -327.329692 -326.988321 -0.341371
MgO- magnesium oxide anion -275.278151 -274.937069 -0.341082
MgO magnesium oxide -275.278151 -274.937069 -0.341082
MgO+ magnesium oxide cation -275.278151 -274.937069 -0.341082
CF- carbon monofluoride anion -137.776959 -137.436296 -0.340663
CF Fluoromethylidyne -137.776959 -137.436296 -0.340663
CF+ carbon monofluoride cation -137.776959 -137.436296 -0.340663
AlCl- aluminum monochloride anion -702.685662 -702.345051 -0.340611
AlCl Aluminum monochloride -702.685662 -702.345051 -0.340611
AlCl+ aluminum monochloride cation -702.685662 -702.345051 -0.340611
NCl- nitrogen monochloride anion -514.758436 -514.417978 -0.340458
NCl nitrogen monochloride -514.758436 -514.417978 -0.340458
NCl+ nitrogen monochloride cation -514.758436 -514.417978 -0.340458
B2- Boron diatomic anion -49.408478 -49.068409 -0.340069
B2 Boron diatomic -49.408478 -49.068409 -0.340069
B2+ Boron diatomic cation -49.408478 -49.068409 -0.340069
LiBr- lithium bromide cation -2579.313617 -2578.974908 -0.338709
LiBr Lithium Bromide -2579.313617 -2578.974908 -0.338709
LiBr+ lithium bromide anion -2579.313617 -2578.974908 -0.338709
SiH3- silyl anion -291.271842 -290.933147 -0.338695
SiH3 silyl -291.271842 -290.933147 -0.338695
SiH3+ silyl cation -291.271842 -290.933147 -0.338695
BeCl- beryllium monochloride anion -474.971942 -474.633255 -0.338686
BeCl beryllium chloride -474.971942 -474.633255 -0.338686
BeCl+ beryllium monochloride cation -474.971942 -474.633255 -0.338686
SO- sulfur monoxide anion -473.305734 -472.967124 -0.338610
SO Sulfur monoxide -473.305734 -472.967124 -0.338610
SO+ sulfur monoxide cation -473.305734 -472.967124 -0.338610
BCl- boron monochloride anion -484.955636 -484.618953 -0.336683
BCl boron monochloride -484.955636 -484.618953 -0.336683
BCl+ boron monochloride cation -484.955636 -484.618953 -0.336683
NO- nitric oxide anion -129.865755 -129.529789 -0.335966
NO Nitric oxide -129.865755 -129.529789 -0.335966
NO+ nitric oxide cation -129.865755 -129.529789 -0.335966
BeF- Beryllium monofluoride anion -114.611770 -114.275876 -0.335894
BeF Beryllium monofluoride -114.611770 -114.275876 -0.335894
BeF+ Beryllium monofluoride cation -114.611770 -114.275876 -0.335894
BeF- Beryllium monofluoride anion -114.610356 -114.275876 -0.334479
BeF Beryllium monofluoride -114.610356 -114.275876 -0.334479
BeF+ Beryllium monofluoride cation -114.610356 -114.275876 -0.334479
BeS- Beryllium monosulfide anion -412.897682 -412.563213 -0.334469
BeS beryllium sulfide -412.897682 -412.563213 -0.334469
BeS+ Beryllium monosulfide cation -412.897682 -412.563213 -0.334469
CCl2- dichloromethylene anion -958.383064 -958.049245 -0.333819
CCl2 dichloromethylene -958.383064 -958.049245 -0.333819
CCl2+ dichloromethylene cation -958.383064 -958.049245 -0.333819
MgF- magnesium fluoride anion -299.998843 -299.665117 -0.333726
MgF Magnesium monofluoride -299.998843 -299.665117 -0.333726
MgF+ magnesium fluoride cation -299.998843 -299.665117 -0.333726
Si- Silicon atom anion -289.406523 -289.073828 -0.332695
Si Silicon atom -289.406523 -289.073828 -0.332695
Si+ Silicon atom cation -289.406523 -289.073828 -0.332695
Be- Beryllium atom anion -14.668443 -14.335913 -0.332530
Be Beryllium atom -14.668443 -14.335913 -0.332530
Be+ Beryllium atom cation -14.668443 -14.335913 -0.332530
NS- nitrogen sulfide anion -452.858661 -452.526155 -0.332506
NS Mononitrogen monosulfide -452.858661 -452.526155 -0.332506
NS+ nitrogen sulfide cation -452.858661 -452.526155 -0.332506
Se2- selenium dimer anion -4798.760614 -4798.428130 -0.332484
Se2 Selenium diatomic -4798.760614 -4798.428130 -0.332484
Se2+ selenium dimer cation -4798.760614 -4798.428130 -0.332484
H2CO- formaldehyde anion -114.438129 -114.106614 -0.331515
H2CO Formaldehyde -114.438129 -114.106614 -0.331515
H2CO+ formaldehyde cation -114.438129 -114.106614 -0.331515
CCl- carbon monochloride anion -498.131258 -497.799872 -0.331387
CCl carbon monochloride -498.131258 -497.799872 -0.331387
CCl+ carbon monochloride cation -498.131258 -497.799872 -0.331387
SiH2- silicon dihydride anion -290.613149 -290.282320 -0.330828
SiH2 silicon dihydride -290.613149 -290.282320 -0.330828
SiH2+ silicon dihydride cation -290.613149 -290.282320 -0.330828
NaCl- sodium chloride anion -622.560344 -622.229712 -0.330632
NaCl Sodium Chloride -622.560344 -622.229712 -0.330632
NaCl+ sodium chloride cation -622.560344 -622.229712 -0.330632
PO- phosphorus monoxide anion -416.551362 -416.221472 -0.329890
PO Phosphorus monoxide -416.551362 -416.221472 -0.329890
PO+ phosphorus monoxide cation -416.551362 -416.221472 -0.329890
SeO- selenium monoxide anion -2474.491301 -2474.162329 -0.328972
SeO Selenium monoxide -2474.491301 -2474.162329 -0.328972
SeO+ selenium monoxide cation -2474.491301 -2474.162329 -0.328972
AlF- Aluminum monofluoride anion -342.308827 -341.980012 -0.328815
AlF Aluminum monofluoride -342.308827 -341.980012 -0.328815
AlF+ Aluminum monofluoride cation -342.308827 -341.980012 -0.328815
SiH- silicon monohydride anion -290.021472 -289.695284 -0.326188
SiH Silylidyne -290.021472 -289.695284 -0.326188
SiH+ silicon monohydride cation -290.021472 -289.695284 -0.326188
CF3- Trifluoromethyl anion -337.550988 -337.226294 -0.324693
CF3 Trifluoromethyl radical -337.550988 -337.226294 -0.324693
CF3+ Trifluoromethyl cation -337.550988 -337.226294 -0.324693
BeCl- beryllium monochloride anion -474.956152 -474.633255 -0.322897
BeCl beryllium chloride -474.956152 -474.633255 -0.322897
BeCl+ beryllium monochloride cation -474.956152 -474.633255 -0.322897
CF2- Difluoromethylene anion -237.606542 -237.284730 -0.321812
CF2 Difluoromethylene -237.606542 -237.284730 -0.321812
CF2+ Difluoromethylene cation -237.606542 -237.284730 -0.321812
PH- phosphorus monohydride anion -341.823868 -341.503708 -0.320160
PH phosphorus monohydride -341.823868 -341.503708 -0.320160
PH+ phosphorus monohydride cation -341.823868 -341.503708 -0.320160
LiO- lithium oxide anion -82.688210 -82.368617 -0.319593
LiO lithium oxide -82.688210 -82.368617 -0.319593
LiO+ lithium oxide cation -82.688210 -82.368617 -0.319593
C2H3 vinyl -77.901207 -77.582060 -0.319147
C2H3+ vinyl cation -77.901207 -77.582060 -0.319147
S2- sulfur dimer anion -796.325974 -796.007376 -0.318598
S2 Sulfur diatomic -796.325974 -796.007376 -0.318598
S2+ sulfur dimer cation -796.325974 -796.007376 -0.318598
SiP- Silicon monophosphide anion -630.753742 -630.435886 -0.317857
SiP Silicon monophosphide -630.753742 -630.435886 -0.317857
SiP+ Silicon monophosphide cation -630.753742 -630.435886 -0.317857
CF- carbon monofluoride anion -137.753845 -137.436296 -0.317549
CF Fluoromethylidyne -137.753845 -137.436296 -0.317549
CF+ carbon monofluoride cation -137.753845 -137.436296 -0.317549
PS- phosphorus monosulfide anion -739.535455 -739.218677 -0.316777
PS phosphorus sulfide -739.535455 -739.218677 -0.316777
PS+ phosphorus monosulfide cation -739.535455 -739.218677 -0.316777
C3H3- Propargyl anion -116.007373 -115.691283 -0.316090
C3H3 Propargyl radical -116.007373 -115.691283 -0.316090
C3H3+ Propargyl cation -116.007373 -115.691283 -0.316090
NS- nitrogen sulfide anion -452.842048 -452.526155 -0.315893
NS Mononitrogen monosulfide -452.842048 -452.526155 -0.315893
NS+ nitrogen sulfide cation -452.842048 -452.526155 -0.315893
LiO- lithium oxide anion -82.684450 -82.368617 -0.315833
LiO lithium oxide -82.684450 -82.368617 -0.315833
LiO+ lithium oxide cation -82.684450 -82.368617 -0.315833
NaBr- sodium bromide anion -2734.077945 -2733.762423 -0.315522
NaBr Sodium Bromide -2734.077945 -2733.762423 -0.315522
NaBr+ sodium bromide cation -2734.077945 -2733.762423 -0.315522
CH3CN- acetonitrile anion -132.634069 -132.318628 -0.315441
CH3CN Acetonitrile -132.634069 -132.318628 -0.315441
CH3CN+ Acetonitrile cation -132.634069 -132.318628 -0.315441
C2H3 vinyl -77.901207 -77.586043 -0.315164
C2H3+ vinyl cation -77.901207 -77.586043 -0.315164
BF- Boron monofluoride anion -124.576470 -124.261701 -0.314769
BF Boron monofluoride -124.576470 -124.261701 -0.314769
BF+ Boron monofluoride cation -124.576470 -124.261701 -0.314769
SiCl- silicon monochloride anion -749.701019 -749.386264 -0.314755
SiCl Clorosilylidyne -749.701019 -749.386264 -0.314755
SiCl+ silicon monochloride cation -749.701019 -749.386264 -0.314755
CH3CN- acetonitrile anion -132.634069 -132.320116 -0.313953
CH3CN Acetonitrile -132.634069 -132.320116 -0.313953
CH3CN+ Acetonitrile cation -132.634069 -132.320116 -0.313953
B- Boron atom anion -24.654349 -24.340433 -0.313916
B Boron atom -24.654349 -24.340433 -0.313916
B+ Boron atom cation -24.654349 -24.340433 -0.313916
BH- boron monohydride anion -25.251457 -24.938004 -0.313453
BH Boron monohydride -25.251457 -24.938004 -0.313453
BH+ boron monohydride cation -25.251457 -24.938004 -0.313453
LiO- lithium oxide anion -82.681264 -82.368617 -0.312647
LiO lithium oxide -82.681264 -82.368617 -0.312647
LiO+ lithium oxide cation -82.681264 -82.368617 -0.312647
NNH Dinitrogen monohydride -110.029570 -109.717866 -0.311704
NNH+ Dinitrogen monohydride cation -110.029570 -109.717866 -0.311704
Cu- Copper atom anion -1640.172466 -1639.860877 -0.311589
Cu Copper atom -1640.172466 -1639.860877 -0.311589
Cu+ Copper atom cation -1640.172466 -1639.860877 -0.311589
C3H3- Propargyl anion -116.001281 -115.691283 -0.309998
C3H3 Propargyl radical -116.001281 -115.691283 -0.309998
C3H3+ Propargyl cation -116.001281 -115.691283 -0.309998
BeH- berylium monohydride anion -15.261042 -14.951113 -0.309929
BeH beryllium monohydride -15.261042 -14.951113 -0.309929
BeH+ beryllium monohydride cation -15.261042 -14.951113 -0.309929
PO- phosphorus monoxide anion -416.530558 -416.221472 -0.309086
PO Phosphorus monoxide -416.530558 -416.221472 -0.309086
PO+ phosphorus monoxide cation -416.530558 -416.221472 -0.309086
AlN- aluminum mononitride anion -297.003386 -296.695378 -0.308008
AlN Aluminum nitride -297.003386 -296.695378 -0.308008
AlN+ aluminum mononitride cation -297.003386 -296.695378 -0.308008
Si2- silcon dimer anion -578.856539 -578.549635 -0.306903
Si2 Silicon diatomic -578.856539 -578.549635 -0.306903
Si2+ silcon dimer cation -578.856539 -578.549635 -0.306903
HCO- formyl anion -113.850170 -113.545291 -0.304879
HCO Formyl radical -113.850170 -113.545291 -0.304879
HCO+ Formyl cation -113.850170 -113.545291 -0.304879
B2- Boron diatomic anion -49.373253 -49.068409 -0.304844
B2 Boron diatomic -49.373253 -49.068409 -0.304844
B2+ Boron diatomic cation -49.373253 -49.068409 -0.304844
SiCl3 trichlorosilyl radical -1670.180776 -1669.878673 -0.302103
SiCl3+ trichlorosilyl cation -1670.180776 -1669.878673 -0.302103
AlH- aluminum monohydride anion -242.983019 -242.681108 -0.301911
AlH aluminum monohydride -242.983019 -242.681108 -0.301911
AlH+ aluminum monohydride cation -242.983019 -242.681108 -0.301911
PF- phosphorus monofluoride anion -441.092434 -440.791376 -0.301057
PF phosphorus monofluoride -441.092434 -440.791376 -0.301057
PF+ phosphorus monofluoride cation -441.092434 -440.791376 -0.301057
SiH3- silyl anion -291.232268 -290.933147 -0.299121
SiH3 silyl -291.232268 -290.933147 -0.299121
SiH3+ silyl cation -291.232268 -290.933147 -0.299121
SiH2- silicon dihydride anion -290.581143 -290.282320 -0.298822
SiH2 silicon dihydride -290.581143 -290.282320 -0.298822
SiH2+ silicon dihydride cation -290.581143 -290.282320 -0.298822
Se2- selenium dimer anion -4798.726842 -4798.428130 -0.298712
Se2 Selenium diatomic -4798.726842 -4798.428130 -0.298712
Se2+ selenium dimer cation -4798.726842 -4798.428130 -0.298712
PS- phosphorus monosulfide anion -739.517318 -739.218677 -0.298641
PS phosphorus sulfide -739.517318 -739.218677 -0.298641
PS+ phosphorus monosulfide cation -739.517318 -739.218677 -0.298641
AlH- aluminum monohydride anion -242.979621 -242.681108 -0.298513
AlH aluminum monohydride -242.979621 -242.681108 -0.298513
AlH+ aluminum monohydride cation -242.979621 -242.681108 -0.298513
HOCO Hydrocarboxyl radical -189.089751 -188.791585 -0.298166
HOCO+ Hydrocarboxyl cation -189.089751 -188.791585 -0.298166
Si- Silicon atom anion -289.371734 -289.073828 -0.297906
Si Silicon atom -289.371734 -289.073828 -0.297906
Si+ Silicon atom cation -289.371734 -289.073828 -0.297906
CCl3- Trichloromethyl anion -1418.623477 -1418.325580 -0.297897
CCl3 Trichloromethyl radical -1418.623477 -1418.325580 -0.297897
CCl3+ Trichloromethyl cation -1418.623477 -1418.325580 -0.297897
PCl- phosphorus monochloride anion -801.464897 -801.167106 -0.297791
PCl phosphorus chloride -801.464897 -801.167106 -0.297791
PCl+ phosphorus monochloride cation -801.464897 -801.167106 -0.297791
C2H5 Ethyl radical -79.157866 -78.860110 -0.297756
C2H5+ Ethyl cation -79.157866 -78.860110 -0.297756
H2O- water anion -76.255502 -75.958808 -0.296694
H2O Water -76.255502 -75.958808 -0.296694
H2O+ water cation -76.255502 -75.958808 -0.296694
HOCO Hydrocarboxyl radical -189.087830 -188.791585 -0.296244
HOCO+ Hydrocarboxyl cation -189.087830 -188.791585 -0.296244
LiH- lithium hydride anion -8.085414 -7.790436 -0.294977
LiH Lithium Hydride -8.085414 -7.790436 -0.294977
LiH+ lithium hydride cation -8.085414 -7.790436 -0.294977
HCS- Thioformyl anion -436.814638 -436.520708 -0.293931
HCS Thioformyl radical -436.814638 -436.520708 -0.293931
HCS+ Thioformyl cation -436.814638 -436.520708 -0.293931
SiH- silicon monohydride anion -289.988638 -289.695284 -0.293354
SiH Silylidyne -289.988638 -289.695284 -0.293354
SiH+ silicon monohydride cation -289.988638 -289.695284 -0.293354
AlH2- aluminum dihydride anion -243.596498 -243.303385 -0.293114
AlH2 aluminum dihydride -243.596498 -243.303385 -0.293114
AlH2+ aluminum dihydride cation -243.596498 -243.303385 -0.293114
MgF- magnesium fluoride anion -299.957640 -299.665117 -0.292523
MgF Magnesium monofluoride -299.957640 -299.665117 -0.292523
MgF+ magnesium fluoride cation -299.957640 -299.665117 -0.292523
LiH- lithium hydride anion -8.081923 -7.790436 -0.291486
LiH Lithium Hydride -8.081923 -7.790436 -0.291486
LiH+ lithium hydride cation -8.081923 -7.790436 -0.291486
MgCl- magnesium monochloride anion -660.328689 -660.037604 -0.291085
MgCl magnesium monochloride -660.328689 -660.037604 -0.291085
MgCl+ magnesium monochloride cation -660.328689 -660.037604 -0.291085
BeH- berylium monohydride anion -15.241480 -14.951113 -0.290367
BeH beryllium monohydride -15.241480 -14.951113 -0.290367
BeH+ beryllium monohydride cation -15.241480 -14.951113 -0.290367
C3H5 Allyl radical -117.260352 -116.972214 -0.288138
C3H5+ Allyl cation -117.260352 -116.972214 -0.288138
Mg- Magnesium atom anion -200.079396 -199.795316 -0.284080
Mg Magnesium atom -200.079396 -199.795316 -0.284080
Mg+ Magnesium atom cation -200.079396 -199.795316 -0.284080
HCS- Thioformyl anion -436.804175 -436.520708 -0.283467
HCS Thioformyl radical -436.804175 -436.520708 -0.283467
HCS+ Thioformyl cation -436.804175 -436.520708 -0.283467
MgS- magnesium sulfide anion -598.254689 -597.971339 -0.283351
MgS magnesium sulfide -598.254689 -597.971339 -0.283351
MgS+ magnesium sulfide cation -598.254689 -597.971339 -0.283351
MgH- magnesium monohydride anion -200.654108 -200.370906 -0.283202
MgH magnesium monohydride -200.654108 -200.370906 -0.283202
MgH+ magnesium monohydride cation -200.654108 -200.370906 -0.283202
HCS- Thioformyl anion -436.802725 -436.520708 -0.282017
HCS Thioformyl radical -436.802725 -436.520708 -0.282017
HCS+ Thioformyl cation -436.802725 -436.520708 -0.282017
HCO- formyl anion -113.826477 -113.545291 -0.281186
HCO Formyl radical -113.826477 -113.545291 -0.281186
HCO+ Formyl cation -113.826477 -113.545291 -0.281186
SiF- silicon monofluoride anion -389.315260 -389.034781 -0.280479
SiF silicon monofluoride -389.315260 -389.034781 -0.280479
SiF+ silicon monofluoride cation -389.315260 -389.034781 -0.280479
NO- nitric oxide anion -129.810172 -129.529789 -0.280383
NO Nitric oxide -129.810172 -129.529789 -0.280383
NO+ nitric oxide cation -129.810172 -129.529789 -0.280383
MgO- magnesium oxide anion -275.216197 -274.937069 -0.279128
MgO magnesium oxide -275.216197 -274.937069 -0.279128
MgO+ magnesium oxide cation -275.216197 -274.937069 -0.279128
NaH- sodium hydride anion -162.863828 -162.585324 -0.278503
NaH sodium hydride -162.863828 -162.585324 -0.278503
NaH+ sodium hydride cation -162.863828 -162.585324 -0.278503
Be- Beryllium atom anion -14.613778 -14.335913 -0.277865
Be Beryllium atom -14.613778 -14.335913 -0.277865
Be+ Beryllium atom cation -14.613778 -14.335913 -0.277865
SiCl- silicon monochloride anion -749.661192 -749.386264 -0.274929
SiCl Clorosilylidyne -749.661192 -749.386264 -0.274929
SiCl+ silicon monochloride cation -749.661192 -749.386264 -0.274929
NaO- sodium oxide anion -237.432342 -237.158164 -0.274178
NaO sodium monoxide -237.432342 -237.158164 -0.274178
NaO+ sodium oxide cation -237.432342 -237.158164 -0.274178
B- Boron atom anion -24.614574 -24.340433 -0.274141
B Boron atom -24.614574 -24.340433 -0.274141
B+ Boron atom cation -24.614574 -24.340433 -0.274141
CH2OH Hydroxymethyl radical -115.052032 -114.782502 -0.269530
CH2OH+ hydroxymethyl cation -115.052032 -114.782502 -0.269530
SiF- silicon monofluoride anion -389.304278 -389.034781 -0.269496
SiF silicon monofluoride -389.304278 -389.034781 -0.269496
SiF+ silicon monofluoride cation -389.304278 -389.034781 -0.269496
NaO- sodium oxide anion -237.426945 -237.158164 -0.268782
NaO sodium monoxide -237.426945 -237.158164 -0.268782
NaO+ sodium oxide cation -237.426945 -237.158164 -0.268782
NaH- sodium hydride anion -162.852569 -162.585324 -0.267245
NaH sodium hydride -162.852569 -162.585324 -0.267245
NaH+ sodium hydride cation -162.852569 -162.585324 -0.267245
Cu- Copper atom anion -1640.127090 -1639.860877 -0.266213
Cu Copper atom -1640.127090 -1639.860877 -0.266213
Cu+ Copper atom cation -1640.127090 -1639.860877 -0.266213
Si2- silcon dimer anion -578.815312 -578.549635 -0.265676
Si2 Silicon diatomic -578.815312 -578.549635 -0.265676
Si2+ silcon dimer cation -578.815312 -578.549635 -0.265676
AlH2- aluminum dihydride anion -243.566409 -243.303385 -0.263025
AlH2 aluminum dihydride -243.566409 -243.303385 -0.263025
AlH2+ aluminum dihydride cation -243.566409 -243.303385 -0.263025
MgH- magnesium monohydride anion -200.632219 -200.370906 -0.261313
MgH magnesium monohydride -200.632219 -200.370906 -0.261313
MgH+ magnesium monohydride cation -200.632219 -200.370906 -0.261313
C2H4- Ethylene anion -78.476292 -78.215556 -0.260736
C2H4 Ethylene -78.476292 -78.215556 -0.260736
C2H4+ Ethylene cation -78.476292 -78.215556 -0.260736
Al2- aluminum dimer anion -484.829734 -484.569765 -0.259969
Al2 Aluminum diatomic -484.829734 -484.569765 -0.259969
Al2+ aluminum dimer cation -484.829734 -484.569765 -0.259969
LiN Lithium Nitride -62.138114 -61.878656 -0.259458
LiN+ Lithium Nitride cation -62.138114 -61.878656 -0.259458
CF- carbon monofluoride anion -137.693435 -137.436296 -0.257139
CF Fluoromethylidyne -137.693435 -137.436296 -0.257139
CF+ carbon monofluoride cation -137.693435 -137.436296 -0.257139
Mg- Magnesium atom anion -200.051699 -199.795316 -0.256383
Mg Magnesium atom -200.051699 -199.795316 -0.256383
Mg+ Magnesium atom cation -200.051699 -199.795316 -0.256383
CH3CO- Acetyl anion -153.179833 -152.923535 -0.256298
CH3CO Acetyl radical -153.179833 -152.923535 -0.256298
CH3CO+ acetyl cation -153.179833 -152.923535 -0.256298
Be2- Beryllium dimer anion -29.342172 -29.090952 -0.251220
Be2 Beryllium diatomic -29.342172 -29.090952 -0.251220
Be2+ Beryllium diatomic cation -29.342172 -29.090952 -0.251220
Mg2- magnesium dimer anion -400.159226 -399.925993 -0.233234
Mg2 Magnesium diatomic -400.159226 -399.925993 -0.233234
Mg2+ magnesium dimer cation -400.159226 -399.925993 -0.233234
Mg2- magnesium dimer anion -400.156059 -399.925993 -0.230067
Mg2 Magnesium diatomic -400.156059 -399.925993 -0.230067
Mg2+ magnesium dimer cation -400.156059 -399.925993 -0.230067
Li2O dilithium oxide -90.309056 -90.080517 -0.228539
Li2O+ dilithium oxide cation -90.309056 -90.080517 -0.228539
Be2- Beryllium dimer anion -29.318090 -29.090952 -0.227138
Be2 Beryllium diatomic -29.318090 -29.090952 -0.227138
Be2+ Beryllium diatomic cation -29.318090 -29.090952 -0.227138
Ca- Calcium atom anion -677.537091 -677.311066 -0.226025
Ca Calcium atom -677.537091 -677.311066 -0.226025
Ca+ Calcium atom cation -677.537091 -677.311066 -0.226025
Al- Aluminum atom anion -242.369481 -242.147131 -0.222350
Al Aluminum atom -242.369481 -242.147131 -0.222350
Al+ Aluminum atom cation -242.369481 -242.147131 -0.222350
Al- Aluminum atom anion -242.368234 -242.147131 -0.221103
Al Aluminum atom -242.368234 -242.147131 -0.221103
Al+ Aluminum atom cation -242.368234 -242.147131 -0.221103
Na- Sodium atom anion -162.318419 -162.097726 -0.220693
Na Sodium atom -162.318419 -162.097726 -0.220693
Na+ Sodium atom cation -162.318419 -162.097726 -0.220693
Na- Sodium atom anion -162.301809 -162.081246 -0.220563
Na Sodium atom -162.301809 -162.081246 -0.220563
Na+ Sodium atom cation -162.301809 -162.081246 -0.220563
Ca- Calcium atom anion -677.528052 -677.311066 -0.216986
Ca Calcium atom -677.528052 -677.311066 -0.216986
Ca+ Calcium atom cation -677.528052 -677.311066 -0.216986
Na- Sodium atom anion -162.303026 -162.087460 -0.215566
Na Sodium atom -162.303026 -162.087460 -0.215566
Na+ Sodium atom cation -162.303026 -162.087460 -0.215566
Na- Sodium atom anion -162.303026 -162.087460 -0.215566
Na Sodium atom -162.303026 -162.087460 -0.215566
Na+ Sodium atom cation -162.303026 -162.087460 -0.215566
Na- Sodium atom anion -162.313213 -162.097716 -0.215497
Na Sodium atom -162.313213 -162.097716 -0.215497
Na+ Sodium atom cation -162.313213 -162.097716 -0.215497
Na- Sodium atom anion -162.307702 -162.092289 -0.215412
Na Sodium atom -162.307702 -162.092289 -0.215412
Na+ Sodium atom cation -162.307702 -162.092289 -0.215412
Na- Sodium atom anion -162.297194 -162.081852 -0.215342
Na Sodium atom -162.297194 -162.081852 -0.215342
Na+ Sodium atom cation -162.297194 -162.081852 -0.215342
Na- Sodium atom anion -161.288922 -161.073886 -0.215035
Na Sodium atom -161.288922 -161.073886 -0.215035
Na+ Sodium atom cation -161.288922 -161.073886 -0.215035
Na- Sodium atom anion -162.296219 -162.081230 -0.214988
Na Sodium atom -162.296219 -162.081230 -0.214988
Na+ Sodium atom cation -162.296219 -162.081230 -0.214988
Na- Sodium atom anion -162.296219 -162.081230 -0.214988
Na Sodium atom -162.296219 -162.081230 -0.214988
Na+ Sodium atom cation -162.296219 -162.081230 -0.214988
Na- Sodium atom anion -161.287007 -161.072721 -0.214286
Na Sodium atom -161.287007 -161.072721 -0.214286
Na+ Sodium atom cation -161.287007 -161.072721 -0.214286
Na- Sodium atom anion -162.295389 -162.081229 -0.214159
Na Sodium atom -162.295389 -162.081229 -0.214159
Na+ Sodium atom cation -162.295389 -162.081229 -0.214159
Li- Lithium atom anion -7.496821 -7.284544 -0.212277
Li Lithium atom -7.496821 -7.284544 -0.212277
Li+ Lithium atom cation -7.496821 -7.284544 -0.212277
Al2- aluminum dimer anion -484.780176 -484.569765 -0.210411
Al2 Aluminum diatomic -484.780176 -484.569765 -0.210411
Al2+ aluminum dimer cation -484.780176 -484.569765 -0.210411
Li- Lithium atom anion -7.490985 -7.284544 -0.206440
Li Lithium atom -7.490985 -7.284544 -0.206440
Li+ Lithium atom cation -7.490985 -7.284544 -0.206440
Na2- sodium dimer anion -324.602071 -324.397991 -0.204080
Na2 Sodium diatomic -324.602071 -324.397991 -0.204080
Na2+ sodium dimer cation -324.602071 -324.397991 -0.204080
NaLi- lithium sodium anion -169.813264 -169.609511 -0.203754
NaLi lithium sodium -169.813264 -169.609511 -0.203754
NaLi+ lithium sodium cation -169.813264 -169.609511 -0.203754
Li2- lithium dimer anion -15.023147 -14.821615 -0.201531
Li2 Lithium diatomic -15.023147 -14.821615 -0.201531
Li2+ lithium diatomic cation -15.023147 -14.821615 -0.201531
Al2- aluminum dimer anion -484.770697 -484.569765 -0.200932
Al2 Aluminum diatomic -484.770697 -484.569765 -0.200932
Al2+ aluminum dimer cation -484.770697 -484.569765 -0.200932
Na- Sodium atom anion -162.297021 -162.097726 -0.199295
Na Sodium atom -162.297021 -162.097726 -0.199295
Na+ Sodium atom cation -162.297021 -162.097726 -0.199295
Na- Sodium atom anion -162.286744 -162.087522 -0.199222
Na Sodium atom -162.286744 -162.087522 -0.199222
Na+ Sodium atom cation -162.286744 -162.087522 -0.199222
Na- Sodium atom anion -162.286630 -162.087460 -0.199170
Na Sodium atom -162.286630 -162.087460 -0.199170
Na+ Sodium atom cation -162.286630 -162.087460 -0.199170
Na- Sodium atom anion -162.286630 -162.087460 -0.199170
Na Sodium atom -162.286630 -162.087460 -0.199170
Na+ Sodium atom cation -162.286630 -162.087460 -0.199170
Na- Sodium atom anion -162.280944 -162.081852 -0.199092
Na Sodium atom -162.280944 -162.081852 -0.199092
Na+ Sodium atom cation -162.280944 -162.081852 -0.199092
Na- Sodium atom anion -162.279911 -162.081246 -0.198665
Na Sodium atom -162.279911 -162.081246 -0.198665
Na+ Sodium atom cation -162.279911 -162.081246 -0.198665
Na- Sodium atom anion -162.279879 -162.081229 -0.198650
Na Sodium atom -162.279879 -162.081229 -0.198650
Na+ Sodium atom cation -162.279879 -162.081229 -0.198650
Na- Sodium atom anion -162.279881 -162.081230 -0.198650
Na Sodium atom -162.279881 -162.081230 -0.198650
Na+ Sodium atom cation -162.279881 -162.081230 -0.198650
Na- Sodium atom anion -162.279880 -162.081230 -0.198649
Na Sodium atom -162.279880 -162.081230 -0.198649
Na+ Sodium atom cation -162.279880 -162.081230 -0.198649
Na- Sodium atom anion -162.290655 -162.092289 -0.198365
Na Sodium atom -162.290655 -162.092289 -0.198365
Na+ Sodium atom cation -162.290655 -162.092289 -0.198365
Na- Sodium atom anion -161.270827 -161.073886 -0.196941
Na Sodium atom -161.270827 -161.073886 -0.196941
Na+ Sodium atom cation -161.270827 -161.073886 -0.196941
Na- Sodium atom anion -161.269661 -161.072721 -0.196940
Na Sodium atom -161.269661 -161.072721 -0.196940
Na+ Sodium atom cation -161.269661 -161.072721 -0.196940
Li2- lithium dimer anion -15.014261 -14.821615 -0.192646
Li2 Lithium diatomic -15.014261 -14.821615 -0.192646
Li2+ lithium diatomic cation -15.014261 -14.821615 -0.192646
NaLi- lithium sodium anion -169.800450 -169.609511 -0.190939
NaLi lithium sodium -169.800450 -169.609511 -0.190939
NaLi+ lithium sodium cation -169.800450 -169.609511 -0.190939
LiN Lithium Nitride -62.068544 -61.878656 -0.189888
LiN+ Lithium Nitride cation -62.068544 -61.878656 -0.189888
Na2- sodium dimer anion -324.586915 -324.397991 -0.188924
Na2 Sodium diatomic -324.586915 -324.397991 -0.188924
Na2+ sodium dimer cation -324.586915 -324.397991 -0.188924
K- Potassium atom anion -599.907029 -599.724945 -0.182084
K Potassium atom -599.907029 -599.724945 -0.182084
K+ Potassium atom cation -599.907029 -599.724945 -0.182084
K- Potassium atom anion -599.890422 -599.724945 -0.165477
K Potassium atom -599.890422 -599.724945 -0.165477
K+ Potassium atom cation -599.890422 -599.724945 -0.165477
H2- hydrogen diatomic anion -1.175482 -1.018074 -0.157409
H2 Hydrogen diatomic -1.175482 -1.018074 -0.157409
H2+ Hydrogen cation -1.175482 -1.018074 -0.157409
H2O- water anion -76.408953 -76.255501 -0.153453
H2O Water -76.408953 -76.255501 -0.153453
H2O+ water cation -76.408953 -76.255501 -0.153453
BO2- Boron dioxide anion -175.430473 -175.302296 -0.128177
BO2 Boron dioxide -175.430473 -175.302296 -0.128177
BO2+ Boron dioxide cation -175.430473 -175.302296 -0.128177
PO2- Phosphorus dioxide anion -491.909653 -491.783642 -0.126011
PO2 Phosphorus dioxide -491.909653 -491.783642 -0.126011
PO2+ Phosphorus dioxide cation -491.909653 -491.783642 -0.126011
C2- carbon diatomic anion -76.007854 -75.882401 -0.125453
C2 Carbon diatomic -76.007854 -75.882401 -0.125453
C2+ carbon diatomic cation -76.007854 -75.882401 -0.125453
BF3- Borane, trifluoro- anion -324.553220 -324.429039 -0.124181
BF3 Borane, trifluoro- -324.553220 -324.429039 -0.124181
BF3+ boron trifluoride cation -324.553220 -324.429039 -0.124181
CH3CN- acetonitrile anion -132.754928 -132.634095 -0.120833
CH3CN Acetonitrile -132.754928 -132.634095 -0.120833
CH3CN+ Acetonitrile cation -132.754928 -132.634095 -0.120833
SiF2 Silicon difluoride -489.258580 -489.138157 -0.120423
HF- hydrogen fluoride anion -100.420172 -100.300305 -0.119867
HF Hydrogen fluoride -100.420172 -100.300305 -0.119867
HF+ hydrogen fluoride cation -100.420172 -100.300305 -0.119867
Cl- Chlorine atom anion -460.252233 -460.136242 -0.115991
Cl Chlorine atom -460.252233 -460.136242 -0.115991
Cl+ Chlorine atom cation -460.252233 -460.136242 -0.115991
SCN- thiocyanide anion -491.099519 -490.985111 -0.114408
SCN thiocyanato radical -491.099519 -490.985111 -0.114408
CN- cyanide anion -92.824532 -92.711747 -0.112784
CN Cyano radical -92.824532 -92.711747 -0.112784
CN+ Cyano cation -92.824532 -92.711747 -0.112784
C2H- Ethynyl anion -76.192438 -76.079705 -0.112732
C2H Ethynyl radical -76.192438 -76.079705 -0.112732
C2H+ Ethynyl cation -76.192438 -76.079705 -0.112732
C2H- Ethynyl anion -76.195214 -76.082590 -0.112624
C2H Ethynyl radical -76.195214 -76.082590 -0.112624
C2H+ Ethynyl cation -76.195214 -76.082590 -0.112624
C2H- Ethynyl anion -76.189370 -76.076967 -0.112402
C2H Ethynyl radical -76.189370 -76.076967 -0.112402
C2H+ Ethynyl cation -76.189370 -76.076967 -0.112402
C2H- Ethynyl anion -76.191217 -76.079027 -0.112190
C2H Ethynyl radical -76.191217 -76.079027 -0.112190
C2H+ Ethynyl cation -76.191217 -76.079027 -0.112190
C2H- Ethynyl anion -76.191863 -76.079956 -0.111906
C2H Ethynyl radical -76.191863 -76.079956 -0.111906
C2H+ Ethynyl cation -76.191863 -76.079956 -0.111906
SiC- silicon monocarbide anion -327.441453 -327.329688 -0.111765
SiC silicon monocarbide -327.441453 -327.329688 -0.111765
SiC+ silicon monocarbide cation -327.441453 -327.329688 -0.111765
OH- hydroxide anion -75.247832 -75.136217 -0.111614
OH Hydroxyl radical -75.247832 -75.136217 -0.111614
OH+ hydoxyl cation -75.247832 -75.136217 -0.111614
BN- boron nitride anion -79.495423 -79.383942 -0.111482
BN boron nitride -79.495423 -79.383942 -0.111482
BN+ boron nitride cation -79.495423 -79.383942 -0.111482
C2H4- Ethylene anion -78.587457 -78.476294 -0.111163
C2H4 Ethylene -78.587457 -78.476294 -0.111163
C2H4+ Ethylene cation -78.587457 -78.476294 -0.111163
C2H- Ethynyl anion -76.203489 -76.092599 -0.110890
C2H Ethynyl radical -76.203489 -76.092599 -0.110890
C2H+ Ethynyl cation -76.203489 -76.092599 -0.110890
C2H- Ethynyl anion -76.206041 -76.095495 -0.110546
C2H Ethynyl radical -76.206041 -76.095495 -0.110546
C2H+ Ethynyl cation -76.206041 -76.095495 -0.110546
C2H- Ethynyl anion -76.213991 -76.103610 -0.110381
C2H Ethynyl radical -76.213991 -76.103610 -0.110381
C2H+ Ethynyl cation -76.213991 -76.103610 -0.110381
C2H- Ethynyl anion -76.170006 -76.060887 -0.109119
C2H Ethynyl radical -76.170006 -76.060887 -0.109119
C2H+ Ethynyl cation -76.170006 -76.060887 -0.109119
Si2- silcon dimer anion -578.921118 -578.815311 -0.105808
Si2 Silicon diatomic -578.921118 -578.815311 -0.105808
Si2+ silcon dimer cation -578.921118 -578.815311 -0.105808
C2H- Ethynyl anion -75.759424 -75.653884 -0.105540
C2H Ethynyl radical -75.759424 -75.653884 -0.105540
C2H+ Ethynyl cation -75.759424 -75.653884 -0.105540
C2H- Ethynyl anion -75.759424 -75.653884 -0.105540
C2H Ethynyl radical -75.759424 -75.653884 -0.105540
C2H+ Ethynyl cation -75.759424 -75.653884 -0.105540
NCO- cyanate -168.105112 -168.001164 -0.103948
NCO isocyanato radical -168.105112 -168.001164 -0.103948
LiO- lithium oxide anion -82.368623 -82.265142 -0.103481
LiO lithium oxide -82.368623 -82.265142 -0.103481
LiO+ lithium oxide cation -82.368623 -82.265142 -0.103481
SiP- Silicon monophosphide anion -630.857151 -630.753741 -0.103410
SiP Silicon monophosphide -630.857151 -630.753741 -0.103410
SiP+ Silicon monophosphide cation -630.857151 -630.753741 -0.103410
S3- Sulfur trimer anion -1194.647823 -1194.545741 -0.102082
S3 Sulfur trimer -1194.647823 -1194.545741 -0.102082
Cl2- chlorine diatomic anion -920.451905 -920.349879 -0.102026
Cl2 Chlorine diatomic -920.451905 -920.349879 -0.102026
Cl2+ chlorine diatomic cation -920.451905 -920.349879 -0.102026
O3- Ozone anion -225.519582 -225.419503 -0.100079
O3 Ozone -225.519582 -225.419503 -0.100079
O3+ Ozone cation -225.519582 -225.419503 -0.100079
AlN- aluminum mononitride anion -297.102978 -297.003384 -0.099594
AlN Aluminum nitride -297.102978 -297.003384 -0.099594
AlN+ aluminum mononitride cation -297.102978 -297.003384 -0.099594
PO2- Phosphorus dioxide anion -491.869886 -491.770881 -0.099004
PO2 Phosphorus dioxide -491.869886 -491.770881 -0.099004
PO2+ Phosphorus dioxide cation -491.869886 -491.770881 -0.099004
N2- nitrogen diatomic anion -109.524129 -109.428195 -0.095933
N2 Nitrogen diatomic -109.524129 -109.428195 -0.095933
N2+ diatomic nitrogen cation -109.524129 -109.428195 -0.095933
CO- carbon monoxide anion -113.309454 -113.214587 -0.094868
CO Carbon monoxide -113.309454 -113.214587 -0.094868
CO+ carbon monoxide cation -113.309454 -113.214587 -0.094868
S3- Sulfur trimer anion -1194.635734 -1194.542649 -0.093084
S3 Sulfur trimer -1194.635734 -1194.542649 -0.093084
AlS- aluminum monosulfide anion -640.709402 -640.618560 -0.090842
AlS Aluminum sulfide -640.709402 -640.618560 -0.090842
AlS+ aluminum monosulfide cation -640.709402 -640.618560 -0.090842
SiN- silicon mononitride anion -344.208546 -344.118285 -0.090261
SiN Silicon nitride -344.208546 -344.118285 -0.090261
SiN+ silicon mononitride cation -344.208546 -344.118285 -0.090261
S2- sulfur dimer anion -796.416207 -796.325998 -0.090209
S2 Sulfur diatomic -796.416207 -796.325998 -0.090209
S2+ sulfur dimer cation -796.416207 -796.325998 -0.090209
C2- carbon diatomic anion -76.007854 -75.918384 -0.089470
C2 Carbon diatomic -76.007854 -75.918384 -0.089470
C2+ carbon diatomic cation -76.007854 -75.918384 -0.089470
CP- carbon monophosphide anion -379.379251 -379.293268 -0.085983
CP Carbon monophosphide -379.379251 -379.293268 -0.085983
CP+ carbon monophosphide cation -379.379251 -379.293268 -0.085983
NO2- Nitrogen dioxide anion -205.169631 -205.083885 -0.085746
NO2 Nitrogen dioxide -205.169631 -205.083885 -0.085746
NO2+ Nitrogen dioxide cation -205.169631 -205.083885 -0.085746
Se2- selenium dimer anion -4798.812379 -4798.726849 -0.085530
Se2 Selenium diatomic -4798.812379 -4798.726849 -0.085530
Se2+ selenium dimer cation -4798.812379 -4798.726849 -0.085530
NH- Imidogen anion -55.219438 -55.134223 -0.085215
NH Imidogen -55.219438 -55.134223 -0.085215
NH+ imidogen cation -55.219438 -55.134223 -0.085215
SCl- sulfur monochloride anion -858.421770 -858.337598 -0.084172
SCl sulfur monochloride -858.421770 -858.337598 -0.084172
SCl+ sulfur monochloride cation -858.421770 -858.337598 -0.084172
B2- Boron diatomic anion -49.457342 -49.373253 -0.084090
B2 Boron diatomic -49.457342 -49.373253 -0.084090
B2+ Boron diatomic cation -49.457342 -49.373253 -0.084090
CF- carbon monofluoride anion -137.776959 -137.693442 -0.083518
CF Fluoromethylidyne -137.776959 -137.693442 -0.083518
CF+ carbon monofluoride cation -137.776959 -137.693442 -0.083518
CF2- Difluoromethylene anion -237.689754 -237.606550 -0.083204
CF2 Difluoromethylene -237.689754 -237.606550 -0.083204
CF2+ Difluoromethylene cation -237.689754 -237.606550 -0.083204
BC- boron monocarbide anion -62.708820 -62.627135 -0.081685
BC boron monocarbide -62.708820 -62.627135 -0.081685
BC+ boron monocarbide cation -62.708820 -62.627135 -0.081685
BF- Boron monofluoride anion -124.658039 -124.576466 -0.081573
BF Boron monofluoride -124.658039 -124.576466 -0.081573
BF+ Boron monofluoride cation -124.658039 -124.576466 -0.081573
AlO- Aluminum monoxide anion -317.692696 -317.611327 -0.081369
AlO Aluminum monoxide -317.692696 -317.611327 -0.081369
AlO+ aluminum monoxide cation -317.692696 -317.611327 -0.081369
S- Sulfur atom anion -398.220363 -398.139297 -0.081067
S Sulfur atom -398.220363 -398.139297 -0.081067
S+ Sulfur atom cation -398.220363 -398.139297 -0.081067
Se- Selenium atom anion -2401.651347 -2401.570489 -0.080858
Se Selenium atom -2401.651347 -2401.570489 -0.080858
Se+ Selenium atom cation -2401.651347 -2401.570489 -0.080858
S- Sulfur atom anion -398.187392 -398.106712 -0.080680
S Sulfur atom -398.187392 -398.106712 -0.080680
S+ Sulfur atom cation -398.187392 -398.106712 -0.080680
Se- Selenium atom anion -2399.404637 -2399.324027 -0.080610
Se Selenium atom -2399.404637 -2399.324027 -0.080610
Se+ Selenium atom cation -2399.404637 -2399.324027 -0.080610
S- Sulfur atom anion -398.212036 -398.132082 -0.079954
S Sulfur atom -398.212036 -398.132082 -0.079954
S+ Sulfur atom cation -398.212036 -398.132082 -0.079954
S- Sulfur atom anion -398.212036 -398.132082 -0.079954
S Sulfur atom -398.212036 -398.132082 -0.079954
S+ Sulfur atom cation -398.212036 -398.132082 -0.079954
PCl- phosphorus monochloride anion -801.544237 -801.464924 -0.079313
PCl phosphorus chloride -801.544237 -801.464924 -0.079313
PCl+ phosphorus monochloride cation -801.544237 -801.464924 -0.079313
C2H- Ethynyl anion -76.682553 -76.604442 -0.078111
C2H Ethynyl radical -76.682553 -76.604442 -0.078111
C2H+ Ethynyl cation -76.682553 -76.604442 -0.078111
NO- nitric oxide anion -129.888156 -129.810168 -0.077988
NO Nitric oxide -129.888156 -129.810168 -0.077988
NO+ nitric oxide cation -129.888156 -129.810168 -0.077988
ClF- clorine monofluoride anion -560.017531 -559.942696 -0.074836
ClF Chlorine monofluoride -560.017531 -559.942696 -0.074836
ClF+ clorine monofluoride cation -560.017531 -559.942696 -0.074836
N3- azide anion -164.213093 -164.138544 -0.074549
N3 azide radical -164.213093 -164.138544 -0.074549
NF- nitrogen monofluorine anion -154.435915 -154.362072 -0.073844
NF nitrogen fluoride -154.435915 -154.362072 -0.073844
NF+ nitrogen monofluoirde cation -154.435915 -154.362072 -0.073844
BeS- Beryllium monosulfide anion -412.971331 -412.897679 -0.073651
BeS beryllium sulfide -412.971331 -412.897679 -0.073651
BeS+ Beryllium monosulfide cation -412.971331 -412.897679 -0.073651
SO3- Sulfur trioxide anion -623.831895 -623.759210 -0.072685
SO3 Sulfur trioxide -623.831895 -623.759210 -0.072685
SO3+ Sulfur trioxide cation -623.831895 -623.759210 -0.072685
MgS- magnesium sulfide anion -598.327320 -598.254689 -0.072632
MgS magnesium sulfide -598.327320 -598.254689 -0.072632
MgS+ magnesium sulfide cation -598.327320 -598.254689 -0.072632
Se- Selenium atom anion -2401.642560 -2401.570132 -0.072428
Se Selenium atom -2401.642560 -2401.570132 -0.072428
Se+ Selenium atom cation -2401.642560 -2401.570132 -0.072428
CCH2 vinylidene -77.259794 -77.187613 -0.072181
F2- flourine diatomic anion -199.568927 -199.498252 -0.070675
F2 Fluorine diatomic -199.568927 -199.498252 -0.070675
F2+ flourine diatomic cation -199.568927 -199.498252 -0.070675
PH- phosphorus monohydride anion -341.894433 -341.823872 -0.070562
PH phosphorus monohydride -341.894433 -341.823872 -0.070562
PH+ phosphorus monohydride cation -341.894433 -341.823872 -0.070562
SeO- selenium monoxide anion -2474.561752 -2474.491329 -0.070422
SeO Selenium monoxide -2474.561752 -2474.491329 -0.070422
SeO+ selenium monoxide cation -2474.561752 -2474.491329 -0.070422
Se- Selenium atom anion -2401.560253 -2401.489876 -0.070377
Se Selenium atom -2401.560253 -2401.489876 -0.070377
Se+ Selenium atom cation -2401.560253 -2401.489876 -0.070377
Se- Selenium atom anion -2401.560253 -2401.489876 -0.070377
Se Selenium atom -2401.560253 -2401.489876 -0.070377
Se+ Selenium atom cation -2401.560253 -2401.489876 -0.070377
HCN- Hydrogen cyanide anion -93.422618 -93.352922 -0.069696
HCN Hydrogen cyanide -93.422618 -93.352922 -0.069696
HCN+ hydrogen cyanide cation -93.422618 -93.352922 -0.069696
LiN Lithium Nitride -62.138114 -62.068546 -0.069568
LiN+ Lithium Nitride cation -62.138114 -62.068546 -0.069568
CCl2- dichloromethylene anion -958.458261 -958.388922 -0.069339
CCl2 dichloromethylene -958.458261 -958.388922 -0.069339
CCl2+ dichloromethylene cation -958.458261 -958.388922 -0.069339
S- Sulfur atom anion -398.206250 -398.138693 -0.067557
S Sulfur atom -398.206250 -398.138693 -0.067557
S+ Sulfur atom cation -398.206250 -398.138693 -0.067557
CCl3- Trichloromethyl anion -1418.690914 -1418.623470 -0.067443
CCl3 Trichloromethyl radical -1418.690914 -1418.623470 -0.067443
CCl3+ Trichloromethyl cation -1418.690914 -1418.623470 -0.067443
S- Sulfur atom anion -10.132117 -10.065047 -0.067070
S Sulfur atom -10.132117 -10.065047 -0.067070
S+ Sulfur atom cation -10.132117 -10.065047 -0.067070
SO- sulfur monoxide anion -473.371937 -473.305735 -0.066202
SO Sulfur monoxide -473.371937 -473.305735 -0.066202
SO+ sulfur monoxide cation -473.371937 -473.305735 -0.066202
NCl- nitrogen monochloride anion -514.824237 -514.758446 -0.065792
NCl nitrogen monochloride -514.824237 -514.758446 -0.065792
NCl+ nitrogen monochloride cation -514.824237 -514.758446 -0.065792
NCl- nitrogen monochloride anion -514.823348 -514.758446 -0.064902
NCl nitrogen monochloride -514.823348 -514.758446 -0.064902
NCl+ nitrogen monochloride cation -514.823348 -514.758446 -0.064902
Si2- silcon dimer anion -578.921118 -578.856539 -0.064580
Si2 Silicon diatomic -578.921118 -578.856539 -0.064580
Si2+ silcon dimer cation -578.921118 -578.856539 -0.064580
BF3- Borane, trifluoro- anion -324.553220 -324.488820 -0.064399
BF3 Borane, trifluoro- -324.553220 -324.488820 -0.064399
BF3+ boron trifluoride cation -324.553220 -324.488820 -0.064399
O3- Ozone anion -225.470686 -225.406459 -0.064227
O3 Ozone -225.470686 -225.406459 -0.064227
O3+ Ozone cation -225.470686 -225.406459 -0.064227
SF- sulfur monofluoride anion -498.011920 -497.948813 -0.063106
SF Monosulfur monofluoride -498.011920 -497.948813 -0.063106
SF+ sulfur monofluoride cation -498.011920 -497.948813 -0.063106
H2CO- formaldehyde anion -114.500471 -114.438130 -0.062341
H2CO Formaldehyde -114.500471 -114.438130 -0.062341
H2CO+ formaldehyde cation -114.500471 -114.438130 -0.062341
HSe- selenium monohydride anion -2399.574075 -2399.512008 -0.062067
HSe Selenium monohydride -2399.574075 -2399.512008 -0.062067
HSe+ selenium monohydride cation -2399.574075 -2399.512008 -0.062067
MgO- magnesium oxide anion -275.278151 -275.216218 -0.061933
MgO magnesium oxide -275.278151 -275.216218 -0.061933
MgO+ magnesium oxide cation -275.278151 -275.216218 -0.061933
SiH2- silicon dihydride anion -290.642925 -290.581145 -0.061780
SiH2 silicon dihydride -290.642925 -290.581145 -0.061780
SiH2+ silicon dihydride cation -290.642925 -290.581145 -0.061780
O- Oxygen atom anion -75.155815 -75.094178 -0.061637
O Oxygen atom -75.155815 -75.094178 -0.061637
O+ Oxygen atom cation -75.155815 -75.094178 -0.061637
S- Sulfur atom anion -398.166678 -398.105756 -0.060923
S Sulfur atom -398.166678 -398.105756 -0.060923
S+ Sulfur atom cation -398.166678 -398.105756 -0.060923
S- Sulfur atom anion -398.161555 -398.100681 -0.060874
S Sulfur atom -398.161555 -398.100681 -0.060874
S+ Sulfur atom cation -398.161555 -398.100681 -0.060874
BS- boron monosulfide anion -423.030718 -422.969845 -0.060872
BS boron sulfide -423.030718 -422.969845 -0.060872
BS+ boron monosulfide cation -423.030718 -422.969845 -0.060872
S- Sulfur atom anion -398.165684 -398.104993 -0.060691
S Sulfur atom -398.165684 -398.104993 -0.060691
S+ Sulfur atom cation -398.165684 -398.104993 -0.060691
S- Sulfur atom anion -398.165684 -398.104993 -0.060691
S Sulfur atom -398.165684 -398.104993 -0.060691
S+ Sulfur atom cation -398.165684 -398.104993 -0.060691
CF- carbon monofluoride anion -137.753845 -137.693442 -0.060403
CF Fluoromethylidyne -137.753845 -137.693442 -0.060403
CF+ carbon monofluoride cation -137.753845 -137.693442 -0.060403
BeO- Beryllium monoxide anion -89.960710 -89.900366 -0.060344
BeO beryllium oxide -89.960710 -89.900366 -0.060344
BeO+ Beryllium monoxide cation -89.960710 -89.900366 -0.060344
BF3- Borane, trifluoro- anion -324.488798 -324.429039 -0.059758
BF3 Borane, trifluoro- -324.488798 -324.429039 -0.059758
BF3+ boron trifluoride cation -324.488798 -324.429039 -0.059758
SO2- Sulfur dioxide anion -548.659114 -548.599382 -0.059732
SO2 Sulfur dioxide -548.659114 -548.599382 -0.059732
SO2+ Sulfur dioxide cation -548.659114 -548.599382 -0.059732
O- Oxygen atom anion -75.127145 -75.067605 -0.059541
O Oxygen atom -75.127145 -75.067605 -0.059541
O+ Oxygen atom cation -75.127145 -75.067605 -0.059541
Al2- aluminum dimer anion -484.829734 -484.770700 -0.059034
Al2 Aluminum diatomic -484.829734 -484.770700 -0.059034
Al2+ aluminum dimer cation -484.829734 -484.770700 -0.059034
SF- sulfur monofluoride anion -497.578306 -497.520491 -0.057815
SF Monosulfur monofluoride -497.578306 -497.520491 -0.057815
SF+ sulfur monofluoride cation -497.578306 -497.520491 -0.057815
SO3- Sulfur trioxide anion -623.831895 -623.774699 -0.057195
SO3 Sulfur trioxide -623.831895 -623.774699 -0.057195
SO3+ Sulfur trioxide cation -623.831895 -623.774699 -0.057195
ClO- chlorine monoxide anion -534.893975 -534.836842 -0.057133
ClO Monochlorine monoxide -534.893975 -534.836842 -0.057133
ClO+ chlorine monoxide cation -534.893975 -534.836842 -0.057133
CF2- Difluoromethylene anion -237.663065 -237.606550 -0.056516
CF2 Difluoromethylene -237.663065 -237.606550 -0.056516
CF2+ Difluoromethylene cation -237.663065 -237.606550 -0.056516
BO- boron monoxide anion -100.080528 -100.024135 -0.056392
BO boron monoxide -100.080528 -100.024135 -0.056392
BO+ boron monoxide cation -100.080528 -100.024135 -0.056392
N- Nitrogen atom anion -54.584490 -54.528641 -0.055849
N Nitrogen atom -54.584490 -54.528641 -0.055849
N+ Nitrogen atom cation -54.584490 -54.528641 -0.055849
NO- nitric oxide anion -129.865755 -129.810168 -0.055587
NO Nitric oxide -129.865755 -129.810168 -0.055587
NO+ nitric oxide cation -129.865755 -129.810168 -0.055587
CCl2- dichloromethylene anion -958.438300 -958.383070 -0.055230
CCl2 dichloromethylene -958.438300 -958.383070 -0.055230
CCl2+ dichloromethylene cation -958.438300 -958.383070 -0.055230
Be- Beryllium atom anion -14.668443 -14.613778 -0.054665
Be Beryllium atom -14.668443 -14.613778 -0.054665
Be+ Beryllium atom cation -14.668443 -14.613778 -0.054665
Se- Selenium atom anion -9.228840 -9.174326 -0.054514
Se Selenium atom -9.228840 -9.174326 -0.054514
Se+ Selenium atom cation -9.228840 -9.174326 -0.054514
MgCl- magnesium monochloride anion -660.382966 -660.328659 -0.054307
MgCl magnesium monochloride -660.382966 -660.328659 -0.054307
MgCl+ magnesium monochloride cation -660.382966 -660.328659 -0.054307
Se- Selenium atom anion -2399.148564 -2399.094510 -0.054054
Se Selenium atom -2399.148564 -2399.094510 -0.054054
Se+ Selenium atom cation -2399.148564 -2399.094510 -0.054054
PF- phosphorus monofluoride anion -441.146443 -441.092455 -0.053988
PF phosphorus monofluoride -441.146443 -441.092455 -0.053988
PF+ phosphorus monofluoride cation -441.146443 -441.092455 -0.053988
Se- Selenium atom anion -2401.550910 -2401.497497 -0.053413
Se Selenium atom -2401.550910 -2401.497497 -0.053413
Se+ Selenium atom cation -2401.550910 -2401.497497 -0.053413
S2- sulfur dimer anion -796.416207 -796.362890 -0.053317
S2 Sulfur diatomic -796.416207 -796.362890 -0.053317
S2+ sulfur dimer cation -796.416207 -796.362890 -0.053317
PH- phosphorus monohydride anion -341.877168 -341.823872 -0.053296
PH phosphorus monohydride -341.877168 -341.823872 -0.053296
PH+ phosphorus monohydride cation -341.877168 -341.823872 -0.053296
Se- Selenium atom anion -2399.359277 -2399.306132 -0.053145
Se Selenium atom -2399.359277 -2399.306132 -0.053145
Se+ Selenium atom cation -2399.359277 -2399.306132 -0.053145
Se- Selenium atom anion -2399.514588 -2399.461655 -0.052933
Se Selenium atom -2399.514588 -2399.461655 -0.052933
Se+ Selenium atom cation -2399.514588 -2399.461655 -0.052933
PS- phosphorus monosulfide anion -739.570222 -739.517319 -0.052903
PS phosphorus sulfide -739.570222 -739.517319 -0.052903
PS+ phosphorus monosulfide cation -739.570222 -739.517319 -0.052903
S- Sulfur atom anion -396.215015 -396.162246 -0.052769
S Sulfur atom -396.215015 -396.162246 -0.052769
S+ Sulfur atom cation -396.215015 -396.162246 -0.052769
NH2- amino anion -55.462770 -55.410216 -0.052554
NH2 Amino radical -55.462770 -55.410216 -0.052554
NH2+ Amino cation -55.462770 -55.410216 -0.052554
S- Sulfur atom anion -10.090644 -10.038448 -0.052196
S Sulfur atom -10.090644 -10.038448 -0.052196
S+ Sulfur atom cation -10.090644 -10.038448 -0.052196
S- Sulfur atom anion -396.303639 -396.251466 -0.052173
S Sulfur atom -396.303639 -396.251466 -0.052173
S+ Sulfur atom cation -396.303639 -396.251466 -0.052173
C2- carbon diatomic anion -75.487987 -75.435844 -0.052142
C2 Carbon diatomic -75.487987 -75.435844 -0.052142
C2+ carbon diatomic cation -75.487987 -75.435844 -0.052142
Ar- Argon atom anion -526.988392 -526.936877 -0.051515
Ar Argon atom -526.988392 -526.936877 -0.051515
Ar+ Argon atom cation -526.988392 -526.936877 -0.051515
BC- boron monocarbide anion -62.678411 -62.627135 -0.051277
BC boron monocarbide -62.678411 -62.627135 -0.051277
BC+ boron monocarbide cation -62.678411 -62.627135 -0.051277
NS- nitrogen sulfide anion -452.892853 -452.842044 -0.050809
NS Mononitrogen monosulfide -452.892853 -452.842044 -0.050809
NS+ nitrogen sulfide cation -452.892853 -452.842044 -0.050809
C- Carbon atom anion -37.909412 -37.859061 -0.050351
C Carbon atom -37.909412 -37.859061 -0.050351
C+ Carbon atom cation -37.909412 -37.859061 -0.050351
S- Sulfur atom anion -398.175291 -398.125081 -0.050210
S Sulfur atom -398.175291 -398.125081 -0.050210
S+ Sulfur atom cation -398.175291 -398.125081 -0.050210
C- Carbon atom anion -37.901398 -37.851334 -0.050064
C Carbon atom -37.901398 -37.851334 -0.050064
C+ Carbon atom cation -37.901398 -37.851334 -0.050064
CP- carbon monophosphide anion -378.897895 -378.848224 -0.049672
CP Carbon monophosphide -378.897895 -378.848224 -0.049672
CP+ carbon monophosphide cation -378.897895 -378.848224 -0.049672
Al2- aluminum dimer anion -484.829734 -484.780173 -0.049561
Al2 Aluminum diatomic -484.829734 -484.780173 -0.049561
Al2+ aluminum dimer cation -484.829734 -484.780173 -0.049561
Si- Silicon atom anion -289.446284 -289.396758 -0.049526
Si Silicon atom -289.446284 -289.396758 -0.049526
Si+ Silicon atom cation -289.446284 -289.396758 -0.049526
CO2- Carbon dioxide anion -188.580940 -188.531449 -0.049491
CO2 Carbon dioxide -188.580940 -188.531449 -0.049491
CO2+ Carbon dioxide cation -188.580940 -188.531449 -0.049491
PF- phosphorus monofluoride anion -441.141751 -441.092455 -0.049296
PF phosphorus monofluoride -441.141751 -441.092455 -0.049296
PF+ phosphorus monofluoride cation -441.141751 -441.092455 -0.049296
Si- Silicon atom anion -289.421713 -289.372861 -0.048852
Si Silicon atom -289.421713 -289.372861 -0.048852
Si+ Silicon atom cation -289.421713 -289.372861 -0.048852
ClO- chlorine monoxide anion -535.340889 -535.292268 -0.048621
ClO Monochlorine monoxide -535.340889 -535.292268 -0.048621
ClO+ chlorine monoxide cation -535.340889 -535.292268 -0.048621
NO2- Nitrogen dioxide anion -205.120386 -205.072206 -0.048180
NO2 Nitrogen dioxide -205.120386 -205.072206 -0.048180
NO2+ Nitrogen dioxide cation -205.120386 -205.072206 -0.048180
CH3- methyl anion -39.838292 -39.790295 -0.047997
CH3 Methyl radical -39.838292 -39.790295 -0.047997
CH3+ methyl cation -39.838292 -39.790295 -0.047997
Cu- Copper atom anion -1640.363130 -1640.316009 -0.047121
Cu Copper atom -1640.363130 -1640.316009 -0.047121
Cu+ Copper atom cation -1640.363130 -1640.316009 -0.047121
SO- sulfur monoxide anion -473.352481 -473.305735 -0.046746
SO Sulfur monoxide -473.352481 -473.305735 -0.046746
SO+ sulfur monoxide cation -473.352481 -473.305735 -0.046746
PCl- phosphorus monochloride anion -801.511590 -801.464924 -0.046666
PCl phosphorus chloride -801.511590 -801.464924 -0.046666
PCl+ phosphorus monochloride cation -801.511590 -801.464924 -0.046666
SCl- sulfur monochloride anion -857.981020 -857.934385 -0.046634
SCl sulfur monochloride -857.981020 -857.934385 -0.046634
SCl+ sulfur monochloride cation -857.981020 -857.934385 -0.046634
Cu- Copper atom anion -1640.172466 -1640.127063 -0.045403
Cu Copper atom -1640.172466 -1640.127063 -0.045403
Cu+ Copper atom cation -1640.172466 -1640.127063 -0.045403
BC- boron monocarbide anion -62.265608 -62.220704 -0.044903
BC boron monocarbide -62.265608 -62.220704 -0.044903
BC+ boron monocarbide cation -62.265608 -62.220704 -0.044903
PH2- Phosphino anion -342.554217 -342.509409 -0.044808
PH2 Phosphino radical -342.554217 -342.509409 -0.044808
PH2+ Phosphino cation -342.554217 -342.509409 -0.044808
SeO- selenium monoxide anion -2474.535292 -2474.491329 -0.043963
SeO Selenium monoxide -2474.535292 -2474.491329 -0.043963
SeO+ selenium monoxide cation -2474.535292 -2474.491329 -0.043963
B2- Boron diatomic anion -49.457342 -49.413435 -0.043907
B2 Boron diatomic -49.457342 -49.413435 -0.043907
B2+ Boron diatomic cation -49.457342 -49.413435 -0.043907
NH- Imidogen anion -55.219438 -55.176290 -0.043148
NH Imidogen -55.219438 -55.176290 -0.043148
NH+ imidogen cation -55.219438 -55.176290 -0.043148
AlN- aluminum mononitride anion -297.046208 -297.003384 -0.042825
AlN Aluminum nitride -297.046208 -297.003384 -0.042825
AlN+ aluminum mononitride cation -297.046208 -297.003384 -0.042825
Se- Selenium atom anion -2390.410389 -2390.368296 -0.042093
Se Selenium atom -2390.410389 -2390.368296 -0.042093
Se+ Selenium atom cation -2390.410389 -2390.368296 -0.042093
NH- Imidogen anion -55.176290 -55.134223 -0.042067
NH Imidogen -55.176290 -55.134223 -0.042067
NH+ imidogen cation -55.176290 -55.134223 -0.042067
SiH2- silicon dihydride anion -290.658890 -290.617235 -0.041656
SiH2 silicon dihydride -290.658890 -290.617235 -0.041656
SiH2+ silicon dihydride cation -290.658890 -290.617235 -0.041656
MgF- magnesium fluoride anion -299.998843 -299.957594 -0.041249
MgF Magnesium monofluoride -299.998843 -299.957594 -0.041249
MgF+ magnesium fluoride cation -299.998843 -299.957594 -0.041249
Si2- silcon dimer anion -578.856539 -578.815311 -0.041228
Si2 Silicon diatomic -578.856539 -578.815311 -0.041228
Si2+ silcon dimer cation -578.856539 -578.815311 -0.041228
CH4 Methane -40.046350 -40.005229 -0.041121
CH4+ Methane cation -40.046350 -40.005229 -0.041121
Si- Silicon atom anion -289.434585 -289.393821 -0.040764
Si Silicon atom -289.434585 -289.393821 -0.040764
Si+ Silicon atom cation -289.434585 -289.393821 -0.040764
Si- Silicon atom anion -289.434585 -289.393821 -0.040764
Si Silicon atom -289.434585 -289.393821 -0.040764
Si+ Silicon atom cation -289.434585 -289.393821 -0.040764
NF- nitrogen monofluorine anion -154.402719 -154.362072 -0.040647
NF nitrogen fluoride -154.402719 -154.362072 -0.040647
NF+ nitrogen monofluoirde cation -154.402719 -154.362072 -0.040647
B2- Boron diatomic anion -49.413435 -49.373253 -0.040183
B2 Boron diatomic -49.413435 -49.373253 -0.040183
B2+ Boron diatomic cation -49.413435 -49.373253 -0.040183
SiCl- silicon monochloride anion -749.701019 -749.661186 -0.039833
SiCl Clorosilylidyne -749.701019 -749.661186 -0.039833
SiCl+ silicon monochloride cation -749.701019 -749.661186 -0.039833
Si- Silicon atom anion -3.793105 -3.753277 -0.039829
Si Silicon atom -3.793105 -3.753277 -0.039829
Si+ Silicon atom cation -3.793105 -3.753277 -0.039829
B- Boron atom anion -24.654349 -24.614574 -0.039775
B Boron atom -24.654349 -24.614574 -0.039775
B+ Boron atom cation -24.654349 -24.614574 -0.039775
SiH3- silyl anion -291.271842 -291.232263 -0.039579
SiH3 silyl -291.271842 -291.232263 -0.039579
SiH3+ silyl cation -291.271842 -291.232263 -0.039579
HNS- HNS- -453.502538 -453.463225 -0.039313
HNS HNS -453.502538 -453.463225 -0.039313
Se- Selenium atom anion -2390.195017 -2390.155769 -0.039248
Se Selenium atom -2390.195017 -2390.155769 -0.039248
Se+ Selenium atom cation -2390.195017 -2390.155769 -0.039248
F- Fluorine atom anion -99.754089 -99.715535 -0.038554
F Fluorine atom -99.754089 -99.715535 -0.038554
F+ Fluorine atom cation -99.754089 -99.715535 -0.038554
H- Hydrogen atom anion -0.500273 -0.461817 -0.038456
H Hydrogen atom -0.500273 -0.461817 -0.038456
H+ Hydrogen atom cation -0.500273 -0.461817 -0.038456
CH3OO- methylperoxy anion -190.268382 -190.230257 -0.038125
CH3OO methylperoxy radical -190.268382 -190.230257 -0.038125
CH3OO+ methylperoxy cation -190.268382 -190.230257 -0.038125
SiP- Silicon monophosphide anion -630.435880 -630.398752 -0.037128
SiP Silicon monophosphide -630.435880 -630.398752 -0.037128
SiP+ Silicon monophosphide cation -630.435880 -630.398752 -0.037128
BH3- boron trihydride anion -26.613000 -26.576082 -0.036918
BH3 boron trihydride -26.613000 -26.576082 -0.036918
BH3+ boron trihydride cation -26.613000 -26.576082 -0.036918
S2- sulfur dimer anion -796.362880 -796.325998 -0.036882
S2 Sulfur diatomic -796.362880 -796.325998 -0.036882
S2+ sulfur dimer cation -796.362880 -796.325998 -0.036882
AlH2- aluminum dihydride anion -243.606083 -243.569266 -0.036817
AlH2 aluminum dihydride -243.606083 -243.569266 -0.036817
AlH2+ aluminum dihydride cation -243.606083 -243.569266 -0.036817
ZnCH2 Zinc methylene -1818.306436 -1818.269642 -0.036793
HO2- Hydroperoxy anion -150.952115 -150.915451 -0.036664
HO2 Hydroperoxy radical -150.952115 -150.915451 -0.036664
HO2+ Hydroperoxy cation -150.952115 -150.915451 -0.036664
BH- boron monohydride anion -25.287892 -25.251458 -0.036435
BH Boron monohydride -25.287892 -25.251458 -0.036435
BH+ boron monohydride cation -25.287892 -25.251458 -0.036435
C2- carbon diatomic anion -75.918384 -75.882401 -0.035983
C2 Carbon diatomic -75.918384 -75.882401 -0.035983
C2+ carbon diatomic cation -75.918384 -75.882401 -0.035983
Si- Silicon atom anion -289.432204 -289.396333 -0.035871
Si Silicon atom -289.432204 -289.396333 -0.035871
Si+ Silicon atom cation -289.432204 -289.396333 -0.035871
FO- flourine oxide anion -174.905374 -174.869580 -0.035794
FO Oxygen monofluoride -174.905374 -174.869580 -0.035794
FO+ fluorine monoxide cation -174.905374 -174.869580 -0.035794
Si- Silicon atom anion -289.404625 -289.368888 -0.035738
Si Silicon atom -289.404625 -289.368888 -0.035738
Si+ Silicon atom cation -289.404625 -289.368888 -0.035738
P- Phosphorus atom anion -341.321620 -341.286256 -0.035363
P Phosphorus atom -341.321620 -341.286256 -0.035363
P+ Phosphorus atom cation -341.321620 -341.286256 -0.035363
B2- Boron diatomic anion -49.408478 -49.373253 -0.035225
B2 Boron diatomic -49.408478 -49.373253 -0.035225
B2+ Boron diatomic cation -49.408478 -49.373253 -0.035225
Si- Silicon atom anion -289.407004 -289.371989 -0.035015
Si Silicon atom -289.407004 -289.371989 -0.035015
Si+ Silicon atom cation -289.407004 -289.371989 -0.035015
CH- methylidyne anion -38.481502 -38.446615 -0.034887
CH Methylidyne -38.481502 -38.446615 -0.034887
CH+ Methylidyne cation -38.481502 -38.446615 -0.034887
Si- Silicon atom anion -289.406523 -289.371735 -0.034788
Si Silicon atom -289.406523 -289.371735 -0.034788
Si+ Silicon atom cation -289.406523 -289.371735 -0.034788
Si- Silicon atom anion -289.406523 -289.371735 -0.034788
Si Silicon atom -289.406523 -289.371735 -0.034788
Si+ Silicon atom cation -289.406523 -289.371735 -0.034788
PS- phosphorus monosulfide anion -739.570222 -739.535467 -0.034756
PS phosphorus sulfide -739.570222 -739.535467 -0.034756
PS+ phosphorus monosulfide cation -739.570222 -739.535467 -0.034756
BH3- boron trihydride anion -26.169608 -26.135237 -0.034371
BH3 boron trihydride -26.169608 -26.135237 -0.034371
BH3+ boron trihydride cation -26.169608 -26.135237 -0.034371
NS- nitrogen sulfide anion -452.892853 -452.858657 -0.034196
NS Mononitrogen monosulfide -452.892853 -452.858657 -0.034196
NS+ nitrogen sulfide cation -452.892853 -452.858657 -0.034196
C3H3- Propargyl anion -116.048815 -116.014769 -0.034046
C3H3 Propargyl radical -116.048815 -116.014769 -0.034046
C3H3+ Propargyl cation -116.048815 -116.014769 -0.034046
Se2- selenium dimer anion -4798.760614 -4798.726849 -0.033765
Se2 Selenium diatomic -4798.760614 -4798.726849 -0.033765
Se2+ selenium dimer cation -4798.760614 -4798.726849 -0.033765
H- Hydrogen atom anion -0.535667 -0.502260 -0.033408
H Hydrogen atom -0.535667 -0.502260 -0.033408
H+ Hydrogen atom cation -0.535667 -0.502260 -0.033408
P- Phosphorus atom anion -341.292582 -341.259302 -0.033280
P Phosphorus atom -341.292582 -341.259302 -0.033280
P+ Phosphorus atom cation -341.292582 -341.259302 -0.033280
NF- nitrogen monofluorine anion -154.435915 -154.402732 -0.033184
NF nitrogen fluoride -154.435915 -154.402732 -0.033184
NF+ nitrogen monofluoirde cation -154.435915 -154.402732 -0.033184
Si- Silicon atom anion -3.796428 -3.763469 -0.032959
Si Silicon atom -3.796428 -3.763469 -0.032959
Si+ Silicon atom cation -3.796428 -3.763469 -0.032959
HCl- hydrogen chloride anion -460.795700 -460.762796 -0.032904
HCl Hydrogen chloride -460.795700 -460.762796 -0.032904
HCl+ hydrogen chloride cation -460.795700 -460.762796 -0.032904
SiH- silicon monohydride anion -290.021472 -289.988639 -0.032833
SiH Silylidyne -290.021472 -289.988639 -0.032833
SiH+ silicon monohydride cation -290.021472 -289.988639 -0.032833
PCl- phosphorus monochloride anion -801.544237 -801.511586 -0.032652
PCl phosphorus chloride -801.544237 -801.511586 -0.032652
PCl+ phosphorus monochloride cation -801.544237 -801.511586 -0.032652
CH- methylidyne anion -38.479163 -38.446615 -0.032548
CH Methylidyne -38.479163 -38.446615 -0.032548
CH+ Methylidyne cation -38.479163 -38.446615 -0.032548
SiH2- silicon dihydride anion -290.613149 -290.581145 -0.032004
SiH2 silicon dihydride -290.613149 -290.581145 -0.032004
SiH2+ silicon dihydride cation -290.613149 -290.581145 -0.032004
P- Phosphorus atom anion -341.312374 -341.280503 -0.031871
P Phosphorus atom -341.312374 -341.280503 -0.031871
P+ Phosphorus atom cation -341.312374 -341.280503 -0.031871
P- Phosphorus atom anion -341.312374 -341.280503 -0.031871
P Phosphorus atom -341.312374 -341.280503 -0.031871
P+ Phosphorus atom cation -341.312374 -341.280503 -0.031871
NH2- amino anion -55.872619 -55.840836 -0.031783
NH2 Amino radical -55.872619 -55.840836 -0.031783
NH2+ Amino cation -55.872619 -55.840836 -0.031783
F- Fluorine atom anion -99.182180 -99.150420 -0.031760
F Fluorine atom -99.182180 -99.150420 -0.031760
F+ Fluorine atom cation -99.182180 -99.150420 -0.031760
F- Fluorine atom anion -99.182180 -99.150420 -0.031760
F Fluorine atom -99.182180 -99.150420 -0.031760
F+ Fluorine atom cation -99.182180 -99.150420 -0.031760
BC- boron monocarbide anion -62.708820 -62.678412 -0.030408
BC boron monocarbide -62.708820 -62.678412 -0.030408
BC+ boron monocarbide cation -62.708820 -62.678412 -0.030408
Si- Silicon atom anion -289.419011 -289.388652 -0.030360
Si Silicon atom -289.419011 -289.388652 -0.030360
Si+ Silicon atom cation -289.419011 -289.388652 -0.030360
Si- Silicon atom anion -287.897234 -287.866880 -0.030354
Si Silicon atom -287.897234 -287.866880 -0.030354
Si+ Silicon atom cation -287.897234 -287.866880 -0.030354
BN- boron nitride anion -79.414278 -79.383942 -0.030336
BN boron nitride -79.414278 -79.383942 -0.030336
BN+ boron nitride cation -79.414278 -79.383942 -0.030336
AlH2- aluminum dihydride anion -243.596498 -243.566413 -0.030086
AlH2 aluminum dihydride -243.596498 -243.566413 -0.030086
AlH2+ aluminum dihydride cation -243.596498 -243.566413 -0.030086
C- Carbon atom anion -37.888642 -37.858574 -0.030068
C Carbon atom -37.888642 -37.858574 -0.030068
C+ Carbon atom cation -37.888642 -37.858574 -0.030068
Cu- Copper atom anion -196.146666 -196.116806 -0.029860
Cu Copper atom -196.146666 -196.116806 -0.029860
Cu+ Copper atom cation -196.146666 -196.116806 -0.029860
SiH2- silicon dihydride anion -290.642925 -290.613144 -0.029781
SiH2 silicon dihydride -290.642925 -290.613144 -0.029781
SiH2+ silicon dihydride cation -290.642925 -290.613144 -0.029781
SO2- Sulfur dioxide anion -548.616885 -548.587488 -0.029397
SO2 Sulfur dioxide -548.616885 -548.587488 -0.029397
SO2+ Sulfur dioxide cation -548.616885 -548.587488 -0.029397
Si- Silicon atom anion -287.952279 -287.922898 -0.029381
Si Silicon atom -287.952279 -287.922898 -0.029381
Si+ Silicon atom cation -287.952279 -287.922898 -0.029381
C- Carbon atom anion -37.882421 -37.853416 -0.029005
C Carbon atom -37.882421 -37.853416 -0.029005
C+ Carbon atom cation -37.882421 -37.853416 -0.029005
NaCl- sodium chloride anion -622.588475 -622.560298 -0.028177
NaCl Sodium Chloride -622.588475 -622.560298 -0.028177
NaCl+ sodium chloride cation -622.588475 -622.560298 -0.028177
Mg- Magnesium atom anion -200.079396 -200.051698 -0.027698
Mg Magnesium atom -200.079396 -200.051698 -0.027698
Mg+ Magnesium atom cation -200.079396 -200.051698 -0.027698
CCl- carbon monochloride anion -498.158731 -498.131263 -0.027467
CCl carbon monochloride -498.158731 -498.131263 -0.027467
CCl+ carbon monochloride cation -498.158731 -498.131263 -0.027467
C- Carbon atom anion -5.435113 -5.407941 -0.027172
C Carbon atom -5.435113 -5.407941 -0.027172
C+ Carbon atom cation -5.435113 -5.407941 -0.027172
BeN- Beryllium mononitride anion -69.341448 -69.314677 -0.026771
BeN Beryllium mononitride -69.341448 -69.314677 -0.026771
BeN+ Beryllium mononitride cation -69.341448 -69.314677 -0.026771
CF2- Difluoromethylene anion -237.689754 -237.663063 -0.026691
CF2 Difluoromethylene -237.689754 -237.663063 -0.026691
CF2+ Difluoromethylene cation -237.689754 -237.663063 -0.026691
Ge2 Germanium dimer -4149.908983 -4149.882742 -0.026241
HBr- hydrogen bromide anion -2572.301284 -2572.275509 -0.025775
HBr hydrogen bromide -2572.301284 -2572.275509 -0.025775
HBr+ hydrogen bromide cation -2572.301284 -2572.275509 -0.025775
AlF- Aluminum monofluoride anion -342.334211 -342.308806 -0.025405
AlF Aluminum monofluoride -342.334211 -342.308806 -0.025405
AlF+ Aluminum monofluoride cation -342.334211 -342.308806 -0.025405
PH2- Phosphino anion -342.528607 -342.504216 -0.024390
PH2 Phosphino radical -342.528607 -342.504216 -0.024390
PH2+ Phosphino cation -342.528607 -342.504216 -0.024390
ZnCH2 Zinc methylene -1818.293819 -1818.269642 -0.024177
Be2- Beryllium dimer anion -29.342172 -29.318090 -0.024082
Be2 Beryllium diatomic -29.342172 -29.318090 -0.024082
Be2+ Beryllium diatomic cation -29.342172 -29.318090 -0.024082
NH2- amino anion -55.909252 -55.885448 -0.023803
NH2 Amino radical -55.909252 -55.885448 -0.023803
NH2+ Amino cation -55.909252 -55.885448 -0.023803
HCO- formyl anion -113.850170 -113.826477 -0.023693
HCO Formyl radical -113.850170 -113.826477 -0.023693
HCO+ Formyl cation -113.850170 -113.826477 -0.023693
O- Oxygen atom anion -75.114582 -75.091863 -0.022720
O Oxygen atom -75.114582 -75.091863 -0.022720
O+ Oxygen atom cation -75.114582 -75.091863 -0.022720
BCl- boron monochloride anion -484.978340 -484.955644 -0.022696
BCl boron monochloride -484.978340 -484.955644 -0.022696
BCl+ boron monochloride cation -484.978340 -484.955644 -0.022696
NO- nitric oxide anion -129.888156 -129.865751 -0.022404
NO Nitric oxide -129.888156 -129.865751 -0.022404
NO+ nitric oxide cation -129.888156 -129.865751 -0.022404
MgH- magnesium monohydride anion -200.654108 -200.632221 -0.021887
MgH magnesium monohydride -200.654108 -200.632221 -0.021887
MgH+ magnesium monohydride cation -200.654108 -200.632221 -0.021887
CH2- methylene anion -39.150019 -39.128249 -0.021770
CH2 Methylene -39.150019 -39.128249 -0.021770
CH2+ methylene cation -39.150019 -39.128249 -0.021770
CH3O- methoxy anion -115.072089 -115.050461 -0.021628
CH3O Methoxy radical -115.072089 -115.050461 -0.021628
CF3- Trifluoromethyl anion -337.572503 -337.551026 -0.021477
CF3 Trifluoromethyl radical -337.572503 -337.551026 -0.021477
CF3+ Trifluoromethyl cation -337.572503 -337.551026 -0.021477
CH2- methylene anion -39.150019 -39.128901 -0.021119
CH2 Methylene -39.150019 -39.128901 -0.021119
CH2+ methylene cation -39.150019 -39.128901 -0.021119
PO- phosphorus monoxide anion -416.551362 -416.530558 -0.020804
PO Phosphorus monoxide -416.551362 -416.530558 -0.020804
PO+ phosphorus monoxide cation -416.551362 -416.530558 -0.020804
AlH3- aluminum trihydride anion -243.815580 -243.794809 -0.020771
AlH3 aluminum trihydride -243.815580 -243.794809 -0.020771
AlH3+ aluminum trihydride cation -243.815580 -243.794809 -0.020771
SiO- silicon monoxide anion -364.720016 -364.699292 -0.020724
SiO Silicon monoxide -364.720016 -364.699292 -0.020724
SiO+ silicon monoxide cation -364.720016 -364.699292 -0.020724
Li- Lithium atom anion -7.512459 -7.492054 -0.020404
Li Lithium atom -7.512459 -7.492054 -0.020404
Li+ Lithium atom cation -7.512459 -7.492054 -0.020404
O2- oxygen diatomic anion -150.320038 -150.299693 -0.020345
O2 Oxygen diatomic -150.320038 -150.299693 -0.020345
O2+ diatomic oxygen cation -150.320038 -150.299693 -0.020345
C- Carbon atom anion -37.876211 -37.855988 -0.020223
C Carbon atom -37.876211 -37.855988 -0.020223
C+ Carbon atom cation -37.876211 -37.855988 -0.020223
C- Carbon atom anion -37.876211 -37.855988 -0.020223
C Carbon atom -37.876211 -37.855988 -0.020223
C+ Carbon atom cation -37.876211 -37.855988 -0.020223
Li- Lithium atom anion -7.511330 -7.491202 -0.020129
Li Lithium atom -7.511330 -7.491202 -0.020129
Li+ Lithium atom cation -7.511330 -7.491202 -0.020129
P- Phosphorus atom anion -6.453483 -6.433611 -0.019873
P Phosphorus atom -6.453483 -6.433611 -0.019873
P+ Phosphorus atom cation -6.453483 -6.433611 -0.019873
BeH- berylium monohydride anion -15.261042 -15.241480 -0.019563
BeH beryllium monohydride -15.261042 -15.241480 -0.019563
BeH+ beryllium monohydride cation -15.261042 -15.241480 -0.019563
O- Oxygen atom anion -15.851232 -15.831675 -0.019557
O Oxygen atom -15.851232 -15.831675 -0.019557
O+ Oxygen atom cation -15.851232 -15.831675 -0.019557
CF2- Difluoromethylene anion -237.730839 -237.711335 -0.019504
CF2 Difluoromethylene -237.730839 -237.711335 -0.019504
CF2+ Difluoromethylene cation -237.730839 -237.711335 -0.019504
SO- sulfur monoxide anion -473.371937 -473.352491 -0.019446
SO Sulfur monoxide -473.371937 -473.352491 -0.019446
SO+ sulfur monoxide cation -473.371937 -473.352491 -0.019446
HCF Fluoromethylene -138.399897 -138.380559 -0.019338
K- Potassium atom anion -599.909744 -599.890412 -0.019332
K Potassium atom -599.909744 -599.890412 -0.019332
K+ Potassium atom cation -599.909744 -599.890412 -0.019332
PS- phosphorus monosulfide anion -739.535455 -739.517319 -0.018135
PS phosphorus sulfide -739.535455 -739.517319 -0.018135
PS+ phosphorus monosulfide cation -739.535455 -739.517319 -0.018135
K- Potassium atom anion -596.923942 -596.905961 -0.017980
K Potassium atom -596.923942 -596.905961 -0.017980
K+ Potassium atom cation -596.923942 -596.905961 -0.017980
LiCl- lithium chloride anion -467.814180 -467.796283 -0.017897
LiCl lithium chloride -467.814180 -467.796283 -0.017897
LiCl+ lithium chloride cation -467.814180 -467.796283 -0.017897
P- Phosphorus atom anion -341.303647 -341.285851 -0.017796
P Phosphorus atom -341.303647 -341.285851 -0.017796
P+ Phosphorus atom cation -341.303647 -341.285851 -0.017796
K- Potassium atom anion -596.923337 -596.905628 -0.017709
K Potassium atom -596.923337 -596.905628 -0.017709
K+ Potassium atom cation -596.923337 -596.905628 -0.017709
LiBr- lithium bromide cation -2579.331003 -2579.313630 -0.017374
LiBr Lithium Bromide -2579.331003 -2579.313630 -0.017374
LiBr+ lithium bromide anion -2579.331003 -2579.313630 -0.017374
PH- phosphorus monohydride anion -341.894433 -341.877171 -0.017263
PH phosphorus monohydride -341.894433 -341.877171 -0.017263
PH+ phosphorus monohydride cation -341.894433 -341.877171 -0.017263
K- Potassium atom anion -599.905849 -599.888621 -0.017227
K Potassium atom -599.905849 -599.888621 -0.017227
K+ Potassium atom cation -599.905849 -599.888621 -0.017227
K- Potassium atom anion -599.908993 -599.891859 -0.017134
K Potassium atom -599.908993 -599.891859 -0.017134
K+ Potassium atom cation -599.908993 -599.891859 -0.017134
Al- Aluminum atom anion -242.406723 -242.389772 -0.016951
Al Aluminum atom -242.406723 -242.389772 -0.016951
Al+ Aluminum atom cation -242.406723 -242.389772 -0.016951
B- Boron atom anion -24.680708 -24.663888 -0.016820
B Boron atom -24.680708 -24.663888 -0.016820
B+ Boron atom cation -24.680708 -24.663888 -0.016820
Li- Lithium atom anion -0.217464 -0.200662 -0.016802
Li Lithium atom -0.217464 -0.200662 -0.016802
Li+ Lithium atom cation -0.217464 -0.200662 -0.016802
NF3- Nitrogen trifluoride anion -354.078409 -354.061666 -0.016744
NF3 Nitrogen trifluoride -354.078409 -354.061666 -0.016744
NF3+ Nitrogen trifluoride cation -354.078409 -354.061666 -0.016744
K- Potassium atom anion -599.907029 -599.890378 -0.016651
K Potassium atom -599.907029 -599.890378 -0.016651
K+ Potassium atom cation -599.907029 -599.890378 -0.016651
K- Potassium atom anion -599.907029 -599.890378 -0.016651
K Potassium atom -599.907029 -599.890378 -0.016651
K+ Potassium atom cation -599.907029 -599.890378 -0.016651
NS- nitrogen sulfide anion -452.858661 -452.842044 -0.016617
NS Mononitrogen monosulfide -452.858661 -452.842044 -0.016617
NS+ nitrogen sulfide cation -452.858661 -452.842044 -0.016617
Na- Sodium atom anion -162.296219 -162.279881 -0.016338
Na Sodium atom -162.296219 -162.279881 -0.016338
Na+ Sodium atom cation -162.296219 -162.279881 -0.016338
K- Potassium atom anion -599.942222 -599.926079 -0.016142
K Potassium atom -599.942222 -599.926079 -0.016142
K+ Potassium atom cation -599.942222 -599.926079 -0.016142
K- Potassium atom anion -599.942222 -599.926079 -0.016142
K Potassium atom -599.942222 -599.926079 -0.016142
K+ Potassium atom cation -599.942222 -599.926079 -0.016142
BeCl- beryllium monochloride anion -474.971942 -474.956152 -0.015790
BeCl beryllium chloride -474.971942 -474.956152 -0.015790
BeCl+ beryllium monochloride cation -474.971942 -474.956152 -0.015790
NaF- sodium fluoride anion -262.173225 -262.157461 -0.015764
NaF sodium fluoride -262.173225 -262.157461 -0.015764
NaF+ sodium fluoride cation -262.173225 -262.157461 -0.015764
Li- Lithium atom anion -7.506891 -7.491297 -0.015594
Li Lithium atom -7.506891 -7.491297 -0.015594
Li+ Lithium atom cation -7.506891 -7.491297 -0.015594
Li- Lithium atom anion -7.506891 -7.491297 -0.015594
Li Lithium atom -7.506891 -7.491297 -0.015594
Li+ Lithium atom cation -7.506891 -7.491297 -0.015594
SO3- Sulfur trioxide anion -623.774691 -623.759210 -0.015481
SO3 Sulfur trioxide -623.774691 -623.759210 -0.015481
SO3+ Sulfur trioxide cation -623.774691 -623.759210 -0.015481
B- Boron atom anion -24.674814 -24.659564 -0.015250
B Boron atom -24.674814 -24.659564 -0.015250
B+ Boron atom cation -24.674814 -24.659564 -0.015250
Na2- sodium dimer anion -324.602071 -324.586915 -0.015156
Na2 Sodium diatomic -324.602071 -324.586915 -0.015156
Na2+ sodium dimer cation -324.602071 -324.586915 -0.015156
P2- phosphorus dimer anion -682.704002 -682.688945 -0.015057
P2 Phosphorus diatomic -682.704002 -682.688945 -0.015057
P2+ phosphorus dimer cation -682.704002 -682.688945 -0.015057
BeN- Beryllium mononitride anion -69.341448 -69.326463 -0.014985
BeN Beryllium mononitride -69.341448 -69.326463 -0.014985
BeN+ Beryllium mononitride cation -69.341448 -69.326463 -0.014985
PN- phosphorus nitride anion -396.061835 -396.047391 -0.014443
PN Phosphorus mononitride -396.061835 -396.047391 -0.014443
PN+ phosphorus nitride cation -396.061835 -396.047391 -0.014443
O- Oxygen atom anion -75.096014 -75.081723 -0.014291
O Oxygen atom -75.096014 -75.081723 -0.014291
O+ Oxygen atom cation -75.096014 -75.081723 -0.014291
H2CO- formaldehyde anion -114.552147 -114.538273 -0.013874
H2CO Formaldehyde -114.552147 -114.538273 -0.013874
H2CO+ formaldehyde cation -114.552147 -114.538273 -0.013874
Li- Lithium atom anion -7.452506 -7.438944 -0.013563
Li Lithium atom -7.452506 -7.438944 -0.013563
Li+ Lithium atom cation -7.452506 -7.438944 -0.013563
Li- Lithium atom anion -7.452506 -7.438944 -0.013563
Li Lithium atom -7.452506 -7.438944 -0.013563
Li+ Lithium atom cation -7.452506 -7.438944 -0.013563
CS- carbon monosulfide anion -436.209305 -436.195932 -0.013373
CS carbon monosulfide -436.209305 -436.195932 -0.013373
CS+ carbon monosulfide cation -436.209305 -436.195932 -0.013373
Li- Lithium atom anion -7.505297 -7.492016 -0.013281
Li Lithium atom -7.505297 -7.492016 -0.013281
Li+ Lithium atom cation -7.505297 -7.492016 -0.013281
Al- Aluminum atom anion -242.382153 -242.368979 -0.013174
Al Aluminum atom -242.382153 -242.368979 -0.013174
Al+ Aluminum atom cation -242.382153 -242.368979 -0.013174
HNO- Nitrosyl hydride anion -130.468131 -130.454997 -0.013135
HNO Nitrosyl hydride -130.468131 -130.454997 -0.013135
HNO+ Nitrosyl hydride cation -130.468131 -130.454997 -0.013135
Li- Lithium atom anion -7.504399 -7.491415 -0.012984
Li Lithium atom -7.504399 -7.491415 -0.012984
Li+ Lithium atom cation -7.504399 -7.491415 -0.012984
NaLi- lithium sodium anion -169.813264 -169.800451 -0.012813
NaLi lithium sodium -169.813264 -169.800451 -0.012813
NaLi+ lithium sodium cation -169.813264 -169.800451 -0.012813
ZnCH2 Zinc methylene -1818.306436 -1818.293774 -0.012662
Li- Lithium atom anion -7.503386 -7.490783 -0.012604
Li Lithium atom -7.503386 -7.490783 -0.012604
Li+ Lithium atom cation -7.503386 -7.490783 -0.012604
SiS- silicon monosulfide anion -687.707621 -687.695074 -0.012546
SiS silicon monosulfide -687.707621 -687.695074 -0.012546
SiS+ silicon monosulfide cation -687.707621 -687.695074 -0.012546
P- Phosphorus atom anion -341.269789 -341.257554 -0.012234
P Phosphorus atom -341.269789 -341.257554 -0.012234
P+ Phosphorus atom cation -341.269789 -341.257554 -0.012234
HO2- Hydroperoxy anion -150.899154 -150.886988 -0.012167
HO2 Hydroperoxy radical -150.899154 -150.886988 -0.012167
HO2+ Hydroperoxy cation -150.899154 -150.886988 -0.012167
C- Carbon atom anion -37.864078 -37.851975 -0.012103
C Carbon atom -37.864078 -37.851975 -0.012103
C+ Carbon atom cation -37.864078 -37.851975 -0.012103
BeN- Beryllium mononitride anion -69.326464 -69.314677 -0.011787
BeN Beryllium mononitride -69.326464 -69.314677 -0.011787
BeN+ Beryllium mononitride cation -69.326464 -69.314677 -0.011787
HCO- formyl anion -113.871645 -113.860290 -0.011355
HCO Formyl radical -113.871645 -113.860290 -0.011355
HCO+ Formyl cation -113.871645 -113.860290 -0.011355
NaH- sodium hydride anion -162.863828 -162.852571 -0.011257
NaH sodium hydride -162.863828 -162.852571 -0.011257
NaH+ sodium hydride cation -162.863828 -162.852571 -0.011257
SiF- silicon monofluoride anion -389.315260 -389.304229 -0.011031
SiF silicon monofluoride -389.315260 -389.304229 -0.011031
SiF+ silicon monofluoride cation -389.315260 -389.304229 -0.011031
K- Potassium atom anion -28.144807 -28.133975 -0.010832
K Potassium atom -28.144807 -28.133975 -0.010832
K+ Potassium atom cation -28.144807 -28.133975 -0.010832
P- Phosphorus atom anion -341.268589 -341.258090 -0.010500
P Phosphorus atom -341.268589 -341.258090 -0.010500
P+ Phosphorus atom cation -341.268589 -341.258090 -0.010500
P- Phosphorus atom anion -341.268589 -341.258090 -0.010500
P Phosphorus atom -341.268589 -341.258090 -0.010500
P+ Phosphorus atom cation -341.268589 -341.258090 -0.010500
HCS- Thioformyl anion -436.814638 -436.804177 -0.010462
HCS Thioformyl radical -436.814638 -436.804177 -0.010462
HCS+ Thioformyl cation -436.814638 -436.804177 -0.010462
C6H12 Cyclohexane -235.880436 -235.870122 -0.010314
C3H8O2 Methane, dimethoxy- -269.552283 -269.542465 -0.009819
P- Phosphorus atom anion -341.265071 -341.255345 -0.009727
P Phosphorus atom -341.265071 -341.255345 -0.009727
P+ Phosphorus atom cation -341.265071 -341.255345 -0.009727
NF3- Nitrogen trifluoride anion -354.071263 -354.061666 -0.009597
NF3 Nitrogen trifluoride -354.071263 -354.061666 -0.009597
NF3+ Nitrogen trifluoride cation -354.071263 -354.061666 -0.009597
Al2- aluminum dimer anion -484.780176 -484.770700 -0.009477
Al2 Aluminum diatomic -484.780176 -484.770700 -0.009477
Al2+ aluminum dimer cation -484.780176 -484.770700 -0.009477
Cu- Copper atom anion -1640.387119 -1640.378042 -0.009077
Cu Copper atom -1640.387119 -1640.378042 -0.009077
Cu+ Copper atom cation -1640.387119 -1640.378042 -0.009077
Cu- Copper atom anion -1640.387119 -1640.378042 -0.009077
Cu Copper atom -1640.387119 -1640.378042 -0.009077
Cu+ Copper atom cation -1640.387119 -1640.378042 -0.009077
Ca- Calcium atom anion -677.537091 -677.528059 -0.009032
Ca Calcium atom -677.537091 -677.528059 -0.009032
Ca+ Calcium atom cation -677.537091 -677.528059 -0.009032
Li2- lithium dimer anion -15.023147 -15.014261 -0.008885
Li2 Lithium diatomic -15.023147 -15.014261 -0.008885
Li2+ lithium diatomic cation -15.023147 -15.014261 -0.008885
Al- Aluminum atom anion -242.394693 -242.386074 -0.008619
Al Aluminum atom -242.394693 -242.386074 -0.008619
Al+ Aluminum atom cation -242.394693 -242.386074 -0.008619
Al- Aluminum atom anion -242.394693 -242.386074 -0.008619
Al Aluminum atom -242.394693 -242.386074 -0.008619
Al+ Aluminum atom cation -242.394693 -242.386074 -0.008619
O- Oxygen atom anion -75.060612 -75.052728 -0.007883
O Oxygen atom -75.060612 -75.052728 -0.007883
O+ Oxygen atom cation -75.060612 -75.052728 -0.007883
N- Nitrogen atom anion -54.610768 -54.602890 -0.007878
N Nitrogen atom -54.610768 -54.602890 -0.007878
N+ Nitrogen atom cation -54.610768 -54.602890 -0.007878
H- Hydrogen atom anion -0.509886 -0.502156 -0.007730
H Hydrogen atom -0.509886 -0.502156 -0.007730
H+ Hydrogen atom cation -0.509886 -0.502156 -0.007730
H- Hydrogen atom anion -0.509865 -0.502156 -0.007709
H Hydrogen atom -0.509865 -0.502156 -0.007709
H+ Hydrogen atom cation -0.509865 -0.502156 -0.007709
H- Hydrogen atom anion -0.509865 -0.502156 -0.007709
H Hydrogen atom -0.509865 -0.502156 -0.007709
H+ Hydrogen atom cation -0.509865 -0.502156 -0.007709
H- Hydrogen atom anion -0.509865 -0.502156 -0.007709
H Hydrogen atom -0.509865 -0.502156 -0.007709
H+ Hydrogen atom cation -0.509865 -0.502156 -0.007709
NF3- Nitrogen trifluoride anion -354.078409 -354.071311 -0.007098
NF3 Nitrogen trifluoride -354.078409 -354.071311 -0.007098
NF3+ Nitrogen trifluoride cation -354.078409 -354.071311 -0.007098
LiO- lithium oxide anion -82.688210 -82.681270 -0.006940
LiO lithium oxide -82.688210 -82.681270 -0.006940
LiO+ lithium oxide cation -82.688210 -82.681270 -0.006940
C2H3NO3 Oxamic acid -358.462418 -358.455896 -0.006522
C3H3- Propargyl anion -116.007373 -116.001282 -0.006091
C3H3 Propargyl radical -116.007373 -116.001282 -0.006091
C3H3+ Propargyl cation -116.007373 -116.001282 -0.006091
Li- Lithium atom anion -7.496821 -7.490985 -0.005837
Li Lithium atom -7.496821 -7.490985 -0.005837
Li+ Lithium atom cation -7.496821 -7.490985 -0.005837
Li- Lithium atom anion -7.496821 -7.490985 -0.005837
Li Lithium atom -7.496821 -7.490985 -0.005837
Li+ Lithium atom cation -7.496821 -7.490985 -0.005837
O- Oxygen atom anion -75.091097 -75.085384 -0.005713
O Oxygen atom -75.091097 -75.085384 -0.005713
O+ Oxygen atom cation -75.091097 -75.085384 -0.005713
O- Oxygen atom anion -75.091097 -75.085384 -0.005713
O Oxygen atom -75.091097 -75.085384 -0.005713
O+ Oxygen atom cation -75.091097 -75.085384 -0.005713
NaO- sodium oxide anion -237.432342 -237.427002 -0.005339
NaO sodium monoxide -237.432342 -237.427002 -0.005339
NaO+ sodium oxide cation -237.432342 -237.427002 -0.005339
Li- Lithium atom anion -7.496615 -7.491464 -0.005152
Li Lithium atom -7.496615 -7.491464 -0.005152
Li+ Lithium atom cation -7.496615 -7.491464 -0.005152
N- Nitrogen atom anion -54.592834 -54.587774 -0.005060
N Nitrogen atom -54.592834 -54.587774 -0.005060
N+ Nitrogen atom cation -54.592834 -54.587774 -0.005060
Al- Aluminum atom anion -1.943745 -1.938692 -0.005053
Al Aluminum atom -1.943745 -1.938692 -0.005053
Al+ Aluminum atom cation -1.943745 -1.938692 -0.005053
Li- Lithium atom anion -7.495852 -7.490902 -0.004950
Li Lithium atom -7.495852 -7.490902 -0.004950
Li+ Lithium atom cation -7.495852 -7.490902 -0.004950
PF- phosphorus monofluoride anion -441.146443 -441.141709 -0.004734
PF phosphorus monofluoride -441.146443 -441.141709 -0.004734
PF+ phosphorus monofluoride cation -441.146443 -441.141709 -0.004734
CSe- Carbon monoselenide anion -2437.378271 -2437.374108 -0.004163
CSe Carbon monoselenide -2437.378271 -2437.374108 -0.004163
CSe+ Carbon monoselenide cation -2437.378271 -2437.374108 -0.004163
C2H3 vinyl -77.586043 -77.582060 -0.003983
C2H3+ vinyl cation -77.586043 -77.582060 -0.003983
LiO- lithium oxide anion -82.688210 -82.684448 -0.003763
LiO lithium oxide -82.688210 -82.684448 -0.003763
LiO+ lithium oxide cation -82.688210 -82.684448 -0.003763
LiH- lithium hydride anion -8.085414 -8.081921 -0.003493
LiH Lithium Hydride -8.085414 -8.081921 -0.003493
LiH+ lithium hydride cation -8.085414 -8.081921 -0.003493
AlH- aluminum monohydride anion -242.983019 -242.979617 -0.003402
AlH aluminum monohydride -242.983019 -242.979617 -0.003402
AlH+ aluminum monohydride cation -242.983019 -242.979617 -0.003402
LiO- lithium oxide anion -82.684450 -82.681270 -0.003180
LiO lithium oxide -82.684450 -82.681270 -0.003180
LiO+ lithium oxide cation -82.684450 -82.681270 -0.003180
Mg2- magnesium dimer anion -400.159226 -400.156064 -0.003163
Mg2 Magnesium diatomic -400.159226 -400.156064 -0.003163
Mg2+ magnesium dimer cation -400.159226 -400.156064 -0.003163
C3H6O 2-Propen-1-ol -193.110845 -193.107846 -0.002998
LiF- lithium fluoride anion -107.420475 -107.417631 -0.002844
LiF lithium fluoride -107.420475 -107.417631 -0.002844
LiF+ lithium fluoride cation -107.420475 -107.417631 -0.002844
OH- hydroxide anion -75.723454 -75.720773 -0.002681
OH Hydroxyl radical -75.723454 -75.720773 -0.002681
OH+ hydoxyl cation -75.723454 -75.720773 -0.002681
Al- Aluminum atom anion -242.392066 -242.389513 -0.002553
Al Aluminum atom -242.392066 -242.389513 -0.002553
Al+ Aluminum atom cation -242.392066 -242.389513 -0.002553
CH- methylidyne anion -38.481502 -38.479163 -0.002339
CH Methylidyne -38.481502 -38.479163 -0.002339
CH+ Methylidyne cation -38.481502 -38.479163 -0.002339
C- Carbon atom anion -37.846279 -37.844272 -0.002008
C Carbon atom -37.846279 -37.844272 -0.002008
C+ Carbon atom cation -37.846279 -37.844272 -0.002008
HOCO Hydrocarboxyl radical -189.089751 -189.087828 -0.001923
HOCO+ Hydrocarboxyl cation -189.089751 -189.087828 -0.001923
Al- Aluminum atom anion -242.370004 -242.368164 -0.001840
Al Aluminum atom -242.370004 -242.368164 -0.001840
Al+ Aluminum atom cation -242.370004 -242.368164 -0.001840
C5H4O2 furfural -343.348028 -343.346345 -0.001683
AlCl- aluminum monochloride anion -702.687329 -702.685655 -0.001674
AlCl Aluminum monochloride -702.687329 -702.685655 -0.001674
AlCl+ aluminum monochloride cation -702.687329 -702.685655 -0.001674
Al- Aluminum atom anion -242.367355 -242.365764 -0.001591
Al Aluminum atom -242.367355 -242.365764 -0.001591
Al+ Aluminum atom cation -242.367355 -242.365764 -0.001591
CH2CH2OH 2-hydroxy ethyl radical -154.358832 -154.357297 -0.001535
CH3CN- acetonitrile anion -132.320116 -132.318628 -0.001488
CH3CN Acetonitrile -132.320116 -132.318628 -0.001488
CH3CN+ Acetonitrile cation -132.320116 -132.318628 -0.001488
CaCO3 Calcium Carbonate -930.838319 -930.836884 -0.001434
BeF- Beryllium monofluoride anion -114.611770 -114.610356 -0.001414
BeF Beryllium monofluoride -114.611770 -114.610356 -0.001414
BeF+ Beryllium monofluoride cation -114.611770 -114.610356 -0.001414
CaH2 Calcium Hydride -678.749809 -678.748437 -0.001372
CH3CH2CH2CH3 Butane -158.458047 -158.456717 -0.001330
Al- Aluminum atom anion -242.369481 -242.368235 -0.001246
Al Aluminum atom -242.369481 -242.368235 -0.001246
Al+ Aluminum atom cation -242.369481 -242.368235 -0.001246
Al- Aluminum atom anion -242.369481 -242.368236 -0.001245
Al Aluminum atom -242.369481 -242.368236 -0.001245
Al+ Aluminum atom cation -242.369481 -242.368236 -0.001245
P- Phosphorus atom anion -341.277525 -341.276438 -0.001088
P Phosphorus atom -341.277525 -341.276438 -0.001088
P+ Phosphorus atom cation -341.277525 -341.276438 -0.001088
NCl- nitrogen monochloride anion -514.824237 -514.823378 -0.000859
NCl nitrogen monochloride -514.824237 -514.823378 -0.000859
NCl+ nitrogen monochloride cation -514.824237 -514.823378 -0.000859
P- Phosphorus atom anion -339.617600 -339.616869 -0.000731
P Phosphorus atom -339.617600 -339.616869 -0.000731
P+ Phosphorus atom cation -339.617600 -339.616869 -0.000731
Cu- Copper atom anion -1632.437918 -1632.437214 -0.000704
Cu Copper atom -1632.437918 -1632.437214 -0.000704
Cu+ Copper atom cation -1632.437918 -1632.437214 -0.000704
Cu- Copper atom anion -1632.437918 -1632.437214 -0.000704
Cu Copper atom -1632.437918 -1632.437214 -0.000704
Cu+ Copper atom cation -1632.437918 -1632.437214 -0.000704
CH2- methylene anion -39.128901 -39.128249 -0.000651
CH2 Methylene -39.128901 -39.128249 -0.000651
CH2+ methylene cation -39.128901 -39.128249 -0.000651
C10H16 adamantane -390.726007 -390.725385 -0.000622
C2H4F2 1,2-difluoroethane -278.278594 -278.277991 -0.000603
CH3OO- methylperoxy anion -190.215742 -190.215230 -0.000512
CH3OO methylperoxy radical -190.215742 -190.215230 -0.000512
CH3OO+ methylperoxy cation -190.215742 -190.215230 -0.000512
Cu- Copper atom anion -1640.174297 -1640.173837 -0.000460
Cu Copper atom -1640.174297 -1640.173837 -0.000460
Cu+ Copper atom cation -1640.174297 -1640.173837 -0.000460
CH2CHCH2CH2CH3 1-pentene -196.534980 -196.534582 -0.000398
AlH3- aluminum trihydride anion -244.204660 -244.204302 -0.000358
AlH3 aluminum trihydride -244.204660 -244.204302 -0.000358
AlH3+ aluminum trihydride cation -244.204660 -244.204302 -0.000358
P- Phosphorus atom anion -339.548709 -339.548420 -0.000290
P Phosphorus atom -339.548709 -339.548420 -0.000290
P+ Phosphorus atom cation -339.548709 -339.548420 -0.000290
CH2ClCH2CH3 Propane, 1-chloro- -578.740156 -578.739921 -0.000235
Ca- Calcium atom anion -677.537392 -677.537167 -0.000225
Ca Calcium atom -677.537392 -677.537167 -0.000225
Ca+ Calcium atom cation -677.537392 -677.537167 -0.000225
Cu- Copper atom anion -1640.378188 -1640.378042 -0.000146
Cu Copper atom -1640.378188 -1640.378042 -0.000146
Cu+ Copper atom cation -1640.378188 -1640.378042 -0.000146
Cu- Copper atom anion -1640.378188 -1640.378042 -0.000146
Cu Copper atom -1640.378188 -1640.378042 -0.000146
Cu+ Copper atom cation -1640.378188 -1640.378042 -0.000146
AsF Arsenic monofluoride -2333.555854 -2333.555734 -0.000120
C5H11 2-Methylbut-2-yl radical -197.110179 -197.110065 -0.000114
C5H12 Propane, 2,2-dimethyl- -197.773090 -197.772982 -0.000108
BrF- bromine fluoride anion -2671.043355 -2671.043267 -0.000087
BrF Bromine monofluoride -2671.043355 -2671.043267 -0.000087
BrF+ bromine fluoride cation -2671.043355 -2671.043267 -0.000087
K- Potassium atom anion -599.926166 -599.926079 -0.000087
K Potassium atom -599.926166 -599.926079 -0.000087
K+ Potassium atom cation -599.926166 -599.926079 -0.000087
K- Potassium atom anion -599.926166 -599.926079 -0.000087
K Potassium atom -599.926166 -599.926079 -0.000087
K+ Potassium atom cation -599.926166 -599.926079 -0.000087
K- Potassium atom anion -599.926266 -599.926180 -0.000086
K Potassium atom -599.926266 -599.926180 -0.000086
K+ Potassium atom cation -599.926266 -599.926180 -0.000086
ZnCl2 Zinc dichloride -2699.613666 -2699.613584 -0.000082
C8H8 cubane -309.460466 -309.460385 -0.000081
K- Potassium atom anion -599.926260 -599.926180 -0.000080
K Potassium atom -599.926260 -599.926180 -0.000080
K+ Potassium atom cation -599.926260 -599.926180 -0.000080
Ne- Neon atom anion -128.961856 -128.961778 -0.000079
Ne Neon atom -128.961856 -128.961778 -0.000079
Ne+ Neon atom cation -128.961856 -128.961778 -0.000079
Na2O disodium monoxide -399.787900 -399.787825 -0.000074
Ne- Neon atom anion -128.894298 -128.894223 -0.000074
Ne Neon atom -128.894298 -128.894223 -0.000074
Ne+ Neon atom cation -128.894298 -128.894223 -0.000074
F2- flourine diatomic anion -199.498324 -199.498252 -0.000071
F2 Fluorine diatomic -199.498324 -199.498252 -0.000071
F2+ flourine diatomic cation -199.498324 -199.498252 -0.000071
C7H12 Norbornane -273.968491 -273.968419 -0.000071
ClF- clorine monofluoride anion -559.942766 -559.942696 -0.000070
ClF Chlorine monofluoride -559.942766 -559.942696 -0.000070
ClF+ clorine monofluoride cation -559.942766 -559.942696 -0.000070
ClF3 Chlorine trifluoride -759.507435 -759.507365 -0.000070
CaCO3 Calcium Carbonate -936.547842 -936.547776 -0.000066
Ge2 Germanium dimer -4149.908983 -4149.908917 -0.000066
Ti- Titanium atom anion -57.961102 -57.961036 -0.000065
Ti Titanium atom -57.961102 -57.961036 -0.000065
Ti+ Titanium atom cation -57.961102 -57.961036 -0.000065
AsF5 Arsenic pentafluoride -2733.022869 -2733.022808 -0.000061
Ge2 Germanium dimer -4149.882802 -4149.882742 -0.000060
ZnCl Zinc monochloride -2239.316209 -2239.316149 -0.000060
SF- sulfur monofluoride anion -497.948872 -497.948813 -0.000058
SF Monosulfur monofluoride -497.948872 -497.948813 -0.000058
SF+ sulfur monofluoride cation -497.948872 -497.948813 -0.000058
Cu- Copper atom anion -1640.472257 -1640.472200 -0.000057
Cu Copper atom -1640.472257 -1640.472200 -0.000057
Cu+ Copper atom cation -1640.472257 -1640.472200 -0.000057
KH Potassium hydride -600.455300 -600.455243 -0.000057
GeH3 germyl radical -2076.719840 -2076.719783 -0.000056
AlF- Aluminum monofluoride anion -342.334211 -342.334155 -0.000056
AlF Aluminum monofluoride -342.334211 -342.334155 -0.000056
AlF+ Aluminum monofluoride cation -342.334211 -342.334155 -0.000056
Cl2- chlorine diatomic anion -920.349934 -920.349879 -0.000055
Cl2 Chlorine diatomic -920.349934 -920.349879 -0.000055
Cl2+ chlorine diatomic cation -920.349934 -920.349879 -0.000055
Si(CH3)4 tetramethylsilane -449.191778 -449.191724 -0.000055
GeH3CH3 methyl germane -2116.691102 -2116.691048 -0.000054
ZnS Zinc sulfide -2177.260836 -2177.260784 -0.000052
S2Cl2 Disulfur dichloride -1716.763769 -1716.763717 -0.000052
S8 Octasulfur -3185.550545 -3185.550494 -0.000051
S2Cl2 Disulfur dichloride -1716.758923 -1716.758872 -0.000051
C8H14 Bicyclo[2.2.2]octane -313.289955 -313.289906 -0.000049
As2 Arsenic diatomic -4467.518438 -4467.518389 -0.000049
SiF- silicon monofluoride anion -389.304278 -389.304229 -0.000048
SiF silicon monofluoride -389.304278 -389.304229 -0.000048
SiF+ silicon monofluoride cation -389.304278 -389.304229 -0.000048
AsH2 Arsenic dihydride -2234.909515 -2234.909467 -0.000048
C5H12S Propane, 2-methyl-2-(methylthio)- -595.955941 -595.955893 -0.000048
C6H12N2 Triethylenediamine -345.329814 -345.329766 -0.000047
KCl Potassium Chloride -1060.172006 -1060.171959 -0.000047
Zn- Zinc atom anion -1779.312084 -1779.312037 -0.000047
Zn Zinc atom -1779.312084 -1779.312037 -0.000047
Zn+ Zinc atom cation -1779.312084 -1779.312037 -0.000047
Zn- Zinc atom anion -1779.312084 -1779.312037 -0.000047
Zn Zinc atom -1779.312084 -1779.312037 -0.000047
Zn+ Zinc atom cation -1779.312084 -1779.312037 -0.000047
N2F2 (Z)-Difluorodiazene -309.012460 -309.012413 -0.000047
NaCl- sodium chloride anion -622.560344 -622.560298 -0.000046
NaCl Sodium Chloride -622.560344 -622.560298 -0.000046
NaCl+ sodium chloride cation -622.560344 -622.560298 -0.000046
MgF- magnesium fluoride anion -299.957640 -299.957594 -0.000046
MgF Magnesium monofluoride -299.957640 -299.957594 -0.000046
MgF+ magnesium fluoride cation -299.957640 -299.957594 -0.000046
ZnCH2 Zinc methylene -1818.293819 -1818.293774 -0.000045
C4H8O Furan, tetrahydro- -232.449492 -232.449446 -0.000045
LiK Lithium Potassium -607.405451 -607.405406 -0.000045
Zn(CH3)2 dimethyl zinc -1858.938499 -1858.938454 -0.000045
C5H12S Propane, 2-(ethylthio)- -595.955802 -595.955758 -0.000044
K- Potassium atom anion -599.888666 -599.888621 -0.000044
K Potassium atom -599.888666 -599.888621 -0.000044
K+ Potassium atom cation -599.888666 -599.888621 -0.000044
K- Potassium atom anion -599.890422 -599.890378 -0.000044
K Potassium atom -599.890422 -599.890378 -0.000044
K+ Potassium atom cation -599.890422 -599.890378 -0.000044
K- Potassium atom anion -599.890456 -599.890412 -0.000044
K Potassium atom -599.890456 -599.890412 -0.000044
K+ Potassium atom cation -599.890456 -599.890412 -0.000044
K- Potassium atom anion -599.890422 -599.890378 -0.000044
K Potassium atom -599.890422 -599.890378 -0.000044
K+ Potassium atom cation -599.890422 -599.890378 -0.000044
K- Potassium atom anion -599.891903 -599.891859 -0.000044
K Potassium atom -599.891903 -599.891859 -0.000044
K+ Potassium atom cation -599.891903 -599.891859 -0.000044
K- Potassium atom anion -599.907029 -599.906985 -0.000044
K Potassium atom -599.907029 -599.906985 -0.000044
K+ Potassium atom cation -599.907029 -599.906985 -0.000044
K- Potassium atom anion -599.724989 -599.724945 -0.000044
K Potassium atom -599.724989 -599.724945 -0.000044
K+ Potassium atom cation -599.724989 -599.724945 -0.000044
Cu- Copper atom anion -1639.860921 -1639.860877 -0.000044
Cu Copper atom -1639.860921 -1639.860877 -0.000044
Cu+ Copper atom cation -1639.860921 -1639.860877 -0.000044
GeF4 Germanium tetrafluoride -2474.497105 -2474.497062 -0.000043
NaK Sodium Potassium -762.193156 -762.193113 -0.000043
PF- phosphorus monofluoride anion -441.141751 -441.141709 -0.000043
PF phosphorus monofluoride -441.141751 -441.141709 -0.000043
PF+ phosphorus monofluoride cation -441.141751 -441.141709 -0.000043
C4H8O Furan, tetrahydro- -232.469812 -232.469770 -0.000043
C5H11Cl Pentane, 1-chloro- -657.367678 -657.367636 -0.000043
SF- sulfur monofluoride anion -498.011920 -498.011878 -0.000042
SF Monosulfur monofluoride -498.011920 -498.011878 -0.000042
SF+ sulfur monofluoride cation -498.011920 -498.011878 -0.000042
ZnH2 Zinc hydride -1780.268625 -1780.268583 -0.000041
SiF2 Silicon difluoride -489.258580 -489.258541 -0.000039
ClF3 Chlorine trifluoride -759.465356 -759.465317 -0.000039
AsF3 Arsenic trifluoride -2533.351854 -2533.351814 -0.000039
ZnCH2 Zinc methylene -1818.306436 -1818.306396 -0.000039
ZnCN Zinc monocyanide -1871.912757 -1871.912718 -0.000039
C8H18 Octane -315.712946 -315.712908 -0.000038
C14H10 Anthracene -539.530523 -539.530486 -0.000038
Mg- Magnesium atom anion -200.079396 -200.079359 -0.000037
Mg Magnesium atom -200.079396 -200.079359 -0.000037
Mg+ Magnesium atom cation -200.079396 -200.079359 -0.000037
SF2- sulfur difluoride anion -597.798134 -597.798097 -0.000037
SF2 sulfur difluoride -597.798134 -597.798097 -0.000037
SF2+ sulfur difluoride cation -597.798134 -597.798097 -0.000037
Zn- Zinc atom anion -1779.090205 -1779.090169 -0.000036
Zn Zinc atom -1779.090205 -1779.090169 -0.000036
Zn+ Zinc atom cation -1779.090205 -1779.090169 -0.000036
Zn- Zinc atom anion -1779.090205 -1779.090169 -0.000036
Zn Zinc atom -1779.090205 -1779.090169 -0.000036
Zn+ Zinc atom cation -1779.090205 -1779.090169 -0.000036
Zn- Zinc atom anion -1779.090205 -1779.090169 -0.000036
Zn Zinc atom -1779.090205 -1779.090169 -0.000036
Zn+ Zinc atom cation -1779.090205 -1779.090169 -0.000036
Zn- Zinc atom anion -1779.182036 -1779.182000 -0.000036
Zn Zinc atom -1779.182036 -1779.182000 -0.000036
Zn+ Zinc atom cation -1779.182036 -1779.182000 -0.000036
Ne- Neon atom anion -128.950900 -128.950865 -0.000036
Ne Neon atom -128.950900 -128.950865 -0.000036
Ne+ Neon atom cation -128.950900 -128.950865 -0.000036
Ge Germanium atom -2074.894259 -2074.894223 -0.000036
AsH3 Arsine -2235.537479 -2235.537444 -0.000036
AsH3+ Arsine cation -2235.537479 -2235.537444 -0.000036
Ne2 Neon dimer -257.789765 -257.789730 -0.000036
S2F2 Thio-thionyl fluoride -996.002215 -996.002180 -0.000035
ZnH Zinc monohydride -1779.636268 -1779.636233 -0.000035
C5H10S Thiophene, tetrahydro-2-methyl- -594.752329 -594.752294 -0.000035
FO- flourine oxide anion -174.905374 -174.905340 -0.000035
FO Oxygen monofluoride -174.905374 -174.905340 -0.000035
FO+ fluorine monoxide cation -174.905374 -174.905340 -0.000035
ZnCH3 Zinc monomethyl -1818.974290 -1818.974256 -0.000034
C5H12S 1-Pentanethiol -595.954241 -595.954207 -0.000034
GeH2 germylene -2076.119921 -2076.119888 -0.000033
C5H9N 1,2,3,6-Tetrahydropyridine -250.670863 -250.670831 -0.000032
PO4-3 phosphate -641.812387 -641.812356 -0.000032
KBr Potassium Bromide -3171.687330 -3171.687299 -0.000031
NaCl- sodium chloride anion -622.588475 -622.588444 -0.000031
NaCl Sodium Chloride -622.588475 -622.588444 -0.000031
NaCl+ sodium chloride cation -622.588475 -622.588444 -0.000031
GeCl2 Germanium dichloride -2995.462621 -2995.462591 -0.000030
C6H14 Butane, 2,2-dimethyl- -237.083702 -237.083672 -0.000030
Cu- Copper atom anion -1640.472230 -1640.472200 -0.000030
Cu Copper atom -1640.472230 -1640.472200 -0.000030
Cu+ Copper atom cation -1640.472230 -1640.472200 -0.000030
C5H12O 2-Butanol, 3-methyl- -272.979782 -272.979752 -0.000030
MgCl- magnesium monochloride anion -660.328689 -660.328659 -0.000030
MgCl magnesium monochloride -660.328689 -660.328659 -0.000030
MgCl+ magnesium monochloride cation -660.328689 -660.328659 -0.000030
C5H12S 2-Butanethiol, 3-methyl- -595.952788 -595.952758 -0.000030
CCl3- Trichloromethyl anion -1418.325609 -1418.325580 -0.000029
CCl3 Trichloromethyl radical -1418.325609 -1418.325580 -0.000029
CCl3+ Trichloromethyl cation -1418.325609 -1418.325580 -0.000029
C12H8 biphenylene -462.032000 -462.031972 -0.000029
BCl3 Borane, trichloro- -1405.562669 -1405.562640 -0.000028
SF2- sulfur difluoride anion -597.824705 -597.824677 -0.000028
SF2 sulfur difluoride -597.824705 -597.824677 -0.000028
SF2+ sulfur difluoride cation -597.824705 -597.824677 -0.000028
Cu- Copper atom anion -1640.316037 -1640.316009 -0.000028
Cu Copper atom -1640.316037 -1640.316009 -0.000028
Cu+ Copper atom cation -1640.316037 -1640.316009 -0.000028
H2Se Hydrogen selenide -2400.209092 -2400.209065 -0.000027
H2Se+ Hydrogen selenide cation -2400.209092 -2400.209065 -0.000027
CuH Copper monohydride -1640.775084 -1640.775056 -0.000027
ZnCH2 Zinc methylene -1818.269670 -1818.269642 -0.000027
Cu- Copper atom anion -1640.127090 -1640.127063 -0.000027
Cu Copper atom -1640.127090 -1640.127063 -0.000027
Cu+ Copper atom cation -1640.127090 -1640.127063 -0.000027
BF4- tetrafluoroboron anion -424.499098 -424.499071 -0.000027
AsH Arsenic monohydride -2234.290511 -2234.290484 -0.000027
DOCl Hypochlorous acid-d -535.943574 -535.943547 -0.000027
HOCl hypochlorous acid -535.943574 -535.943547 -0.000027
SiF4 Silicon tetrafluoride -689.108562 -689.108536 -0.000026
C4H6(CH3)2 dimethylcyclobutane -235.845322 -235.845296 -0.000026
C6H12 2-Butene, 2,3-dimethyl- -235.856695 -235.856670 -0.000025
PF5 Phosphorus pentafluoride -840.676371 -840.676346 -0.000025
CH3CCl2CH3 Propane, 2,2-dichloro- -1038.334484 -1038.334460 -0.000025
CaH2 Calcium Hydride -678.748462 -678.748437 -0.000025
ClNO Nitrosyl chloride -590.085233 -590.085208 -0.000025
Ne- Neon atom anion -128.909463 -128.909439 -0.000024
Ne Neon atom -128.909463 -128.909439 -0.000024
Ne+ Neon atom cation -128.909463 -128.909439 -0.000024
SO4-2 sulfate -698.932024 -698.931999 -0.000024
S3- Sulfur trimer anion -1194.545765 -1194.545741 -0.000024
S3 Sulfur trimer -1194.545765 -1194.545741 -0.000024
C6H4F2 orthodifluorobenzene -430.708689 -430.708665 -0.000024
ClS2 Sulfur chloride -1256.560381 -1256.560357 -0.000024
S- Sulfur atom anion -398.138716 -398.138693 -0.000024
S Sulfur atom -398.138716 -398.138693 -0.000024
S+ Sulfur atom cation -398.138716 -398.138693 -0.000024
S3- Sulfur trimer anion -1194.542673 -1194.542649 -0.000023
S3 Sulfur trimer -1194.542673 -1194.542649 -0.000023
GeH germylidene -2075.503735 -2075.503712 -0.000023
GeH4 Germane -2077.361094 -2077.361071 -0.000023
C10H8 naphthalene -385.892730 -385.892707 -0.000023
ClS2 Sulfur chloride -1256.557013 -1256.556990 -0.000023
C4H9N Pyrrolidine -212.604682 -212.604659 -0.000023
S3- Sulfur trimer anion -1194.635734 -1194.635711 -0.000023
S3 Sulfur trimer -1194.635734 -1194.635711 -0.000023
C4H11NO Diethylhydroxylamine -288.962560 -288.962538 -0.000023
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- -1077.651772 -1077.651750 -0.000022
MgF- magnesium fluoride anion -299.998843 -299.998821 -0.000022
MgF Magnesium monofluoride -299.998843 -299.998821 -0.000022
MgF+ magnesium fluoride cation -299.998843 -299.998821 -0.000022
CaH2 Calcium Hydride -678.749809 -678.749787 -0.000022
CaH2 Calcium Hydride -678.744741 -678.744719 -0.000022
C4H9N Pyrrolidine -212.581750 -212.581728 -0.000022
C5H12O 2-Pentanol -272.979624 -272.979603 -0.000021
CH2ClCHClCH3 Propane, 1,2-dichloro- -1038.350148 -1038.350127 -0.000021
C3H8O2 Methane, dimethoxy- -269.552283 -269.552262 -0.000021
Ar- Argon atom anion -527.559371 -527.559350 -0.000021
Ar Argon atom -527.559371 -527.559350 -0.000021
Ar+ Argon atom cation -527.559371 -527.559350 -0.000021
AlF- Aluminum monofluoride anion -342.308827 -342.308806 -0.000021
AlF Aluminum monofluoride -342.308827 -342.308806 -0.000021
AlF+ Aluminum monofluoride cation -342.308827 -342.308806 -0.000021
AsH3 Arsine -2235.176022 -2235.176002 -0.000020
AsH3+ Arsine cation -2235.176022 -2235.176002 -0.000020
HCONH2CN2H4 formamide aminomethanimine dimer -320.059653 -320.059633 -0.000020
CH2ClCHClCH3 Propane, 1,2-dichloro- -1038.336373 -1038.336353 -0.000020
N2O4 Dinitrogen tetroxide -410.168259 -410.168239 -0.000020
Ca- Calcium atom anion -677.575996 -677.575977 -0.000019
Ca Calcium atom -677.575996 -677.575977 -0.000019
Ca+ Calcium atom cation -677.575996 -677.575977 -0.000019
Ca- Calcium atom anion -677.575996 -677.575977 -0.000019
Ca Calcium atom -677.575996 -677.575977 -0.000019
Ca+ Calcium atom cation -677.575996 -677.575977 -0.000019
HCONH2CN2H4 formamide aminomethanimine dimer -319.957186 -319.957166 -0.000019
HCONH2CN2H4 formamide aminomethanimine dimer -320.065977 -320.065957 -0.000019
Ca- Calcium atom anion -677.576047 -677.576027 -0.000019
Ca Calcium atom -677.576047 -677.576027 -0.000019
Ca+ Calcium atom cation -677.576047 -677.576027 -0.000019
C6H14 Pentane, 2-methyl- -237.084759 -237.084740 -0.000019
HCONH2CN2H4 formamide aminomethanimine dimer -319.915450 -319.915431 -0.000019
PF3 Phosphorus trifluoride -640.956458 -640.956440 -0.000019
CHOCH(CH3)CH3 Propanal, 2-methyl- -232.458088 -232.458069 -0.000019
C6H14 Hexane -237.085499 -237.085480 -0.000019
C5H12 Pentane -197.771782 -197.771763 -0.000019
C(NH2)H2CH2CH2CH3 1-Butanamine -213.798213 -213.798195 -0.000018
MgCl- magnesium monochloride anion -660.382966 -660.382948 -0.000018
MgCl magnesium monochloride -660.382966 -660.382948 -0.000018
MgCl+ magnesium monochloride cation -660.382966 -660.382948 -0.000018
CF4 Carbon tetrafluoride -437.476291 -437.476273 -0.000018
CH3CCl3 Ethane, 1,1,1-trichloro- -1458.599021 -1458.599003 -0.000018
PF- phosphorus monofluoride anion -441.146443 -441.146425 -0.000018
PF phosphorus monofluoride -441.146443 -441.146425 -0.000018
PF+ phosphorus monofluoride cation -441.146443 -441.146425 -0.000018
OBrO OBrO -2721.938105 -2721.938087 -0.000018
N2O4 Dinitrogen tetroxide -410.188377 -410.188359 -0.000018
Ar- Argon atom anion -527.517142 -527.517124 -0.000018
Ar Argon atom -527.517142 -527.517124 -0.000018
Ar+ Argon atom cation -527.517142 -527.517124 -0.000018
C5H10S 3-Ethylthio-1-propene -594.716149 -594.716131 -0.000018
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- -618.059615 -618.059598 -0.000018
Ar- Argon atom anion -527.517142 -527.517124 -0.000018
Ar Argon atom -527.517142 -527.517124 -0.000018
Ar+ Argon atom cation -527.517142 -527.517124 -0.000018
C4H6OS Dihydro-2-(3H)-thiophenone -629.460878 -629.460861 -0.000017
Ar- Argon atom anion -527.515778 -527.515761 -0.000017
Ar Argon atom -527.515778 -527.515761 -0.000017
Ar+ Argon atom cation -527.515778 -527.515761 -0.000017
Ar- Argon atom anion -527.553208 -527.553191 -0.000017
Ar Argon atom -527.553208 -527.553191 -0.000017
Ar+ Argon atom cation -527.553208 -527.553191 -0.000017
Ar- Argon atom anion -527.553208 -527.553191 -0.000017
Ar Argon atom -527.553208 -527.553191 -0.000017
Ar+ Argon atom cation -527.553208 -527.553191 -0.000017
NF3- Nitrogen trifluoride anion -354.061683 -354.061666 -0.000017
NF3 Nitrogen trifluoride -354.061683 -354.061666 -0.000017
NF3+ Nitrogen trifluoride cation -354.061683 -354.061666 -0.000017
AlFCl2 Aluminum dichloride fluoride -1262.880797 -1262.880780 -0.000017
C5H8 Bicyclo[2.1.0]pentane -195.280246 -195.280229 -0.000017
SF2- sulfur difluoride anion -597.434006 -597.433990 -0.000017
SF2 sulfur difluoride -597.434006 -597.433990 -0.000017
SF2+ sulfur difluoride cation -597.434006 -597.433990 -0.000017
SiF- silicon monofluoride anion -389.315260 -389.315244 -0.000017
SiF silicon monofluoride -389.315260 -389.315244 -0.000017
SiF+ silicon monofluoride cation -389.315260 -389.315244 -0.000017
C6H10 Cyclopentene, 4-methyl- -234.642063 -234.642046 -0.000017
C4H10OS Diethyl sulfoxide -631.816375 -631.816359 -0.000017
GeO Germanium monoxide -2150.202063 -2150.202047 -0.000017
CH2ClCHCHCH3 2-Butene, 1-chloro- -616.819196 -616.819179 -0.000016
CH3CHClCH3 Propane, 2-chloro- -578.743621 -578.743604 -0.000016
C6H12 1-Butene, 2,3-dimethyl- -235.851900 -235.851884 -0.000016
CH3CHClCH3 Propane, 2-chloro- -578.758164 -578.758148 -0.000016
SCl- sulfur monochloride anion -858.421770 -858.421754 -0.000016
SCl sulfur monochloride -858.421770 -858.421754 -0.000016
SCl+ sulfur monochloride cation -858.421770 -858.421754 -0.000016
C3H5ClO2 Carbonochloridic acid, ethyl ester -727.977305 -727.977289 -0.000016
C3H8O2S (Methylsulphonyl)ethane -667.741761 -667.741746 -0.000016
Zn- Zinc atom anion -1779.353534 -1779.353518 -0.000016
Zn Zinc atom -1779.353534 -1779.353518 -0.000016
Zn+ Zinc atom cation -1779.353534 -1779.353518 -0.000016
C5H10 Cyclopropane, 1,1-dimethyl- -196.528817 -196.528801 -0.000016
C4H4N2 Pyrazine -264.317235 -264.317220 -0.000015
C5H10 Cyclopropane, 1,1-dimethyl- -196.549643 -196.549627 -0.000015
C6H5CHCH2 Styrene -309.648272 -309.648256 -0.000015
C6H8 3-Methylenecyclopentene -233.418239 -233.418224 -0.000015
S- Sulfur atom anion -396.251481 -396.251466 -0.000015
S Sulfur atom -396.251481 -396.251466 -0.000015
S+ Sulfur atom cation -396.251481 -396.251466 -0.000015
C4H4N2 Pyrazine -264.334288 -264.334274 -0.000015
C5H8 Bicyclo[2.1.0]pentane -195.298219 -195.298204 -0.000015
C4H9N Cyclobutylamine -212.556926 -212.556911 -0.000015
CH3CHFCl Ethane, 1-chloro-1-fluoro- -638.656600 -638.656585 -0.000015
C6H5NO2 Nitrobenzene -436.750585 -436.750570 -0.000015
C3H8O2S (Methylsulphonyl)ethane -667.716485 -667.716471 -0.000014
C4H9N Cyclobutylamine -212.583835 -212.583820 -0.000014
Se2- selenium dimer anion -4798.428144 -4798.428130 -0.000014
Se2 Selenium diatomic -4798.428144 -4798.428130 -0.000014
Se2+ selenium dimer cation -4798.428144 -4798.428130 -0.000014
NaF- sodium fluoride anion -261.811381 -261.811367 -0.000014
NaF sodium fluoride -261.811381 -261.811367 -0.000014
NaF+ sodium fluoride cation -261.811381 -261.811367 -0.000014
C6H5CHO benzaldehyde -345.573456 -345.573442 -0.000014
Ar- Argon atom anion -527.513313 -527.513299 -0.000014
Ar Argon atom -527.513313 -527.513299 -0.000014
Ar+ Argon atom cation -527.513313 -527.513299 -0.000014
CFCl3 Trichloromonofluoromethane -1518.504917 -1518.504903 -0.000014
Si2H6 disilane -582.582745 -582.582731 -0.000014
Cl- Chlorine atom anion -460.136256 -460.136242 -0.000014
Cl Chlorine atom -460.136256 -460.136242 -0.000014
Cl+ Chlorine atom cation -460.136256 -460.136242 -0.000014
Ar- Argon atom anion -527.560002 -527.559988 -0.000014
Ar Argon atom -527.560002 -527.559988 -0.000014
Ar+ Argon atom cation -527.560002 -527.559988 -0.000014
C4H8S Thiophene, tetrahydro- -555.436600 -555.436586 -0.000013
NaO- sodium oxide anion -237.158177 -237.158164 -0.000013
NaO sodium monoxide -237.158177 -237.158164 -0.000013
NaO+ sodium oxide cation -237.158177 -237.158164 -0.000013
BHCl2 Borane, dichloro- -945.920209 -945.920195 -0.000013
C4H8O2 Ethene, 1,1-dimethoxy- -307.641648 -307.641635 -0.000013
C6H10 2,4-Hexadiene, (E,Z)- -234.629752 -234.629739 -0.000013
C4H10O 1-Butanol -233.661478 -233.661465 -0.000013
CH3CH2Cl Ethyl chloride -539.436990 -539.436977 -0.000013
C5H8 1,4-Pentadiene -195.320548 -195.320535 -0.000013
S- Sulfur atom anion -396.162259 -396.162246 -0.000013
S Sulfur atom -396.162259 -396.162246 -0.000013
S+ Sulfur atom cation -396.162259 -396.162246 -0.000013
C5H8O Furan, 2,3-dihydro-5-methyl- -270.546321 -270.546308 -0.000013
CH2FCl fluorochloromethane -599.350356 -599.350343 -0.000013
C4H8Cl2 Butane, 1,3-dichloro- -1077.651123 -1077.651110 -0.000013
C6H5CH3 toluene -271.566650 -271.566638 -0.000013
CHCl3 Chloroform -1419.279123 -1419.279110 -0.000012
C6H6 Benzene -232.248661 -232.248649 -0.000012
CH2FCl fluorochloromethane -599.331955 -599.331943 -0.000012
C5H5N Pyridine -248.284973 -248.284961 -0.000012
N(CH3)3 Trimethylamine -174.474414 -174.474402 -0.000012
PN- phosphorus nitride anion -396.047404 -396.047391 -0.000012
PN Phosphorus mononitride -396.047404 -396.047391 -0.000012
PN+ phosphorus nitride cation -396.047404 -396.047391 -0.000012
C6H14 Pentane, 3-methyl- -237.083238 -237.083226 -0.000012
Zn- Zinc atom anion -1779.353530 -1779.353518 -0.000012
Zn Zinc atom -1779.353530 -1779.353518 -0.000012
Zn+ Zinc atom cation -1779.353530 -1779.353518 -0.000012
C6H4F2 metadifluorobenzene -430.714993 -430.714981 -0.000012
C5H5N Pyridine -248.303368 -248.303356 -0.000012
C4H10O2 1,3-Butanediol -308.870292 -308.870280 -0.000012
C6H10 1,3-Hexadiene, (Z)- -234.617844 -234.617832 -0.000012
LiOH lithium hydroxide -83.367979 -83.367967 -0.000011
CH2CHCl Ethene, chloro- -538.185403 -538.185391 -0.000011
C5H7N (E)-2-Pentenenitrile -249.466967 -249.466956 -0.000011
CCl2- dichloromethylene anion -958.049256 -958.049245 -0.000011
CCl2 dichloromethylene -958.049256 -958.049245 -0.000011
CCl2+ dichloromethylene cation -958.049256 -958.049245 -0.000011
C6H8 Bicyclo[3.1.0]hex-2-ene -233.397775 -233.397764 -0.000011
HSO3 HOSO2 -624.353205 -624.353194 -0.000011
CHOCH2CH2CH3 Butanal -232.458976 -232.458965 -0.000011
LiF- lithium fluoride anion -107.020655 -107.020644 -0.000011
LiF lithium fluoride -107.020655 -107.020644 -0.000011
LiF+ lithium fluoride cation -107.020655 -107.020644 -0.000011
C6H8 Bicyclo[2.1.1]hex-2-ene -233.365008 -233.364997 -0.000011
C6H12 2-Hexene, (Z)- -235.852042 -235.852031 -0.000011
C5H8 1-pentyne -195.281036 -195.281025 -0.000011
C5H10O Oxetane, 3,3-dimethyl- -271.737983 -271.737972 -0.000011
C5H10S Cyclopentanethiol -594.742320 -594.742309 -0.000011
C2H3NO3 Oxamic acid -358.455906 -358.455896 -0.000011
C4H10O Ethoxy ethane -233.663460 -233.663449 -0.000011
CH2CHCH3 Propene -117.922810 -117.922800 -0.000011
C5H8 1,2-Pentadiene -195.309837 -195.309826 -0.000010
C3H5Cl3 Propane, 1,2,3-trichloro- -1497.920731 -1497.920720 -0.000010
SCl- sulfur monochloride anion -858.337608 -858.337598 -0.000010
SCl sulfur monochloride -858.337608 -858.337598 -0.000010
SCl+ sulfur monochloride cation -858.337608 -858.337598 -0.000010
C5H12O 1-Pentanol -272.974859 -272.974849 -0.000010
CCl2O Phosgene -1033.714382 -1033.714372 -0.000010
H2OCH3OCH3 water dimethylether dimer -231.567064 -231.567054 -0.000010
C5H8 1,3-Butadiene, 2-methyl- -195.331803 -195.331793 -0.000010
PO2- Phosphorus dioxide anion -491.783652 -491.783642 -0.000010
PO2 Phosphorus dioxide -491.783652 -491.783642 -0.000010
PO2+ Phosphorus dioxide cation -491.783652 -491.783642 -0.000010
C6H5OH phenol -307.464871 -307.464860 -0.000010
C4H5NO 3-Methylisoxazole -285.357334 -285.357324 -0.000010
Ti- Titanium atom anion -849.336046 -849.336036 -0.000010
Ti Titanium atom -849.336046 -849.336036 -0.000010
Ti+ Titanium atom cation -849.336046 -849.336036 -0.000010
Ti- Titanium atom anion -849.336046 -849.336036 -0.000010
Ti Titanium atom -849.336046 -849.336036 -0.000010
Ti+ Titanium atom cation -849.336046 -849.336036 -0.000010
CH2Cl2 Methylene chloride -959.696357 -959.696347 -0.000010
SiH3F monofluorosilane -391.180559 -391.180549 -0.000010
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- -303.878951 -303.878941 -0.000010
NO3- nitrate anion -279.720814 -279.720804 -0.000010
NO3 Nitrogen trioxide -279.720814 -279.720804 -0.000010
NO3+ nitrogen trioxide cation -279.720814 -279.720804 -0.000010
NO3- nitrate anion -279.720814 -279.720804 -0.000010
NO3 Nitrogen trioxide -279.720814 -279.720804 -0.000010
NO3+ nitrogen trioxide cation -279.720814 -279.720804 -0.000010
PO2- Phosphorus dioxide anion -491.770891 -491.770881 -0.000009
PO2 Phosphorus dioxide -491.770891 -491.770881 -0.000009
PO2+ Phosphorus dioxide cation -491.770891 -491.770881 -0.000009
C5H10 Cyclopentane -196.557076 -196.557067 -0.000009
CH3C(SCH3)HCH3 Propane, 2-(methylthio)- -556.662349 -556.662340 -0.000009
C4H10O Methyl propyl ether -233.658217 -233.658208 -0.000009
C4H2O3 Maleic Anhydride -379.289545 -379.289535 -0.000009
HCOOHH2O Formic acid water dimer -266.320802 -266.320793 -0.000009
CH2ClCH2CH2CH3 Butane, 1-chloro- -618.053851 -618.053842 -0.000009
Si- Silicon atom anion -289.396342 -289.396333 -0.000009
Si Silicon atom -289.396342 -289.396333 -0.000009
Si+ Silicon atom cation -289.396342 -289.396333 -0.000009
FNO3 Fluorine nitrate -379.991913 -379.991904 -0.000009
C2Cl2 dichloroacetylene -996.499042 -996.499033 -0.000009
C2Cl2+ dichloroacetylene cation -996.499042 -996.499033 -0.000009
C5H6S Thiophene, 3-methyl- -592.339576 -592.339567 -0.000009
C6H10 1,3-Hexadiene, (E)- -234.624868 -234.624859 -0.000009
SSO Disulfur monoxide -871.555513 -871.555504 -0.000009
C3H8S2 1,3-Propanedithiol -915.507680 -915.507672 -0.000009
HCOOHH2O Formic acid water dimer -266.226691 -266.226682 -0.000009
CH3C(SCH3)HCH3 Propane, 2-(methylthio)- -556.642774 -556.642766 -0.000009
C(CH3)3 Tert-butyl radical -157.798326 -157.798317 -0.000009
SiO- silicon monoxide anion -364.301856 -364.301847 -0.000008
SiO Silicon monoxide -364.301856 -364.301847 -0.000008
SiO+ silicon monoxide cation -364.301856 -364.301847 -0.000008
C5H10O 3-Pentanone -271.785165 -271.785157 -0.000008
C6H10 Cyclopentene, 3-methyl- -234.642186 -234.642177 -0.000008
Cl3PO Phosphoryl chloride -1797.233524 -1797.233515 -0.000008
D2S Hydrogen sulfide-d2 -399.385441 -399.385433 -0.000008
SiCl- silicon monochloride anion -749.701019 -749.701011 -0.000008
SiCl Clorosilylidyne -749.701019 -749.701011 -0.000008
SiCl+ silicon monochloride cation -749.701019 -749.701011 -0.000008
C4H8O2 1,3-Dioxane -307.666280 -307.666272 -0.000008
C4H6O2 2-Propenoic acid, methyl ester -306.467760 -306.467752 -0.000008
C5H12O Propane, 2-methoxy-2-methyl- -272.974778 -272.974769 -0.000008
C5H12O 1-Butanol, 2-methyl- -272.974127 -272.974119 -0.000008
C6H5NH2 aniline -287.601761 -287.601753 -0.000008
HCOOHH2O Formic acid water dimer -266.326138 -266.326130 -0.000008
C6H5O phenoxy radical -306.827642 -306.827634 -0.000008
C4H8O2 1,3-Dioxolane, 2-methyl- -307.668604 -307.668596 -0.000008
C5H6 3-Penten-1-yne, (E)- -194.054693 -194.054685 -0.000008
CH3CH(CH3)ONO Iso-propyl nitrite -323.643721 -323.643713 -0.000008
H2OCH3OCH3 water dimethylether dimer -231.484980 -231.484972 -0.000008
C2H5N Aziridine -133.919400 -133.919392 -0.000008
CS- carbon monosulfide anion -436.195940 -436.195932 -0.000008
CS carbon monosulfide -436.195940 -436.195932 -0.000008
CS+ carbon monosulfide cation -436.195940 -436.195932 -0.000008
CH3CH2NH2 Ethylamine -135.170732 -135.170725 -0.000008
C6H10 Bicyclo[3.1.0]hexane -234.630800 -234.630792 -0.000008
P2- phosphorus dimer anion -682.704002 -682.703994 -0.000008
P2 Phosphorus diatomic -682.704002 -682.703994 -0.000008
P2+ phosphorus dimer cation -682.704002 -682.703994 -0.000008
AlCl- aluminum monochloride anion -702.685662 -702.685655 -0.000008
AlCl Aluminum monochloride -702.685662 -702.685655 -0.000008
AlCl+ aluminum monochloride cation -702.685662 -702.685655 -0.000008
Se- Selenium atom anion -2401.497505 -2401.497497 -0.000008
Se Selenium atom -2401.497505 -2401.497497 -0.000008
Se+ Selenium atom cation -2401.497505 -2401.497497 -0.000008
CH3CH2Cl Ethyl chloride -539.426266 -539.426259 -0.000007
C6H5Cl chlorobenzene -691.844974 -691.844967 -0.000007
SiN- silicon mononitride anion -344.208546 -344.208539 -0.000007
SiN Silicon nitride -344.208546 -344.208539 -0.000007
SiN+ silicon mononitride cation -344.208546 -344.208539 -0.000007
C4H8OS s-Ethyl thioacetate -630.660602 -630.660594 -0.000007
CH2Cl chloromethyl radical -499.438329 -499.438322 -0.000007
CH2CH(CH3)2 Isobutyl radical -157.785653 -157.785645 -0.000007
C3H5Cl 1-Propene, 3-chloro- -577.501371 -577.501363 -0.000007
C5H9N Pentanenitrile -250.696706 -250.696699 -0.000007
C6H10 2-Hexyne -234.606626 -234.606619 -0.000007
C5H8 1,4-Pentadiene -195.297767 -195.297760 -0.000007
H2OHCOOH Water formic acid dimer 1 -266.214799 -266.214792 -0.000007
SCN- thiocyanide anion -491.099519 -491.099512 -0.000007
SCN thiocyanato radical -491.099519 -491.099512 -0.000007
HClO3 Chloric Acid -686.177435 -686.177428 -0.000007
CH2Cl2 Methylene chloride -959.702987 -959.702980 -0.000007
CH2CHOH ethenol -153.827537 -153.827530 -0.000007
CH3CH2NH2 Ethylamine -135.192570 -135.192563 -0.000007
LiO- lithium oxide anion -82.265149 -82.265142 -0.000007
LiO lithium oxide -82.265149 -82.265142 -0.000007
LiO+ lithium oxide cation -82.265149 -82.265142 -0.000007
NCl3 nitrogen trichloride -1435.208921 -1435.208914 -0.000007
Si2- silcon dimer anion -578.921118 -578.921111 -0.000007
Si2 Silicon diatomic -578.921118 -578.921111 -0.000007
Si2+ silcon dimer cation -578.921118 -578.921111 -0.000007
C6H5F Fluorobenzene -331.482299 -331.482292 -0.000007
Cl2O Dichlorine monoxide -995.478364 -995.478358 -0.000007
C2H5N Aziridine -133.935591 -133.935585 -0.000007
CH3CH2OH Ethanol -155.057983 -155.057976 -0.000007
CH3CHOHCH3 Isopropyl alcohol -194.353317 -194.353310 -0.000007
H2OHCOOH Water formic acid dimer 1 -266.172059 -266.172052 -0.000007
ClO4- perchlorate anion -760.798426 -760.798419 -0.000007
CSe- Carbon monoselenide anion -2437.374114 -2437.374108 -0.000007
CSe Carbon monoselenide -2437.374114 -2437.374108 -0.000007
CSe+ Carbon monoselenide cation -2437.374114 -2437.374108 -0.000007
HCOOHH2O Formic acid water dimer -266.188728 -266.188722 -0.000007
SiC- silicon monocarbide anion -327.441453 -327.441446 -0.000007
SiC silicon monocarbide -327.441453 -327.441446 -0.000007
SiC+ silicon monocarbide cation -327.441453 -327.441446 -0.000007
CCl3- Trichloromethyl anion -1418.623477 -1418.623470 -0.000007
CCl3 Trichloromethyl radical -1418.623477 -1418.623470 -0.000007
CCl3+ Trichloromethyl cation -1418.623477 -1418.623470 -0.000007
Cl2O Dichlorine monoxide -995.485514 -995.485508 -0.000007
NS- nitrogen sulfide anion -452.526162 -452.526155 -0.000007
NS Mononitrogen monosulfide -452.526162 -452.526155 -0.000007
NS+ nitrogen sulfide cation -452.526162 -452.526155 -0.000007
GeO2 Germanium dioxide -2225.371275 -2225.371269 -0.000006
SiCl- silicon monochloride anion -749.661192 -749.661186 -0.000006
SiCl Clorosilylidyne -749.661192 -749.661186 -0.000006
SiCl+ silicon monochloride cation -749.661192 -749.661186 -0.000006
C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- -1077.652120 -1077.652114 -0.000006
AlS- aluminum monosulfide anion -640.264064 -640.264058 -0.000006
AlS Aluminum sulfide -640.264064 -640.264058 -0.000006
AlS+ aluminum monosulfide cation -640.264064 -640.264058 -0.000006
CH2CHCH2CH2CH3 1-pentene -196.534588 -196.534582 -0.000006
NH2CH2CH2CH3 1-Propanamine -174.484593 -174.484587 -0.000006
S- Sulfur atom anion -398.104999 -398.104993 -0.000006
S Sulfur atom -398.104999 -398.104993 -0.000006
S+ Sulfur atom cation -398.104999 -398.104993 -0.000006
CH3CH(SH)CH2CH3 2-Butanethiol -556.641959 -556.641953 -0.000006
C2HF3 Trifluoroethylene -376.273233 -376.273227 -0.000006
C2HF3+ Trifluoroethylene cation -376.273233 -376.273227 -0.000006
C3H6O 2-Propen-1-ol -193.135944 -193.135937 -0.000006
CH3SSSCH3 dimethyl trisulfide -1274.404030 -1274.404023 -0.000006
F2O Difluorine monoxide -274.649856 -274.649850 -0.000006
PH4+ phosphonium cation -343.446757 -343.446751 -0.000006
S- Sulfur atom anion -398.100687 -398.100681 -0.000006
S Sulfur atom -398.100687 -398.100681 -0.000006
S+ Sulfur atom cation -398.100687 -398.100681 -0.000006
NH2CONHC2H5 Urea, ethyl- -303.884328 -303.884322 -0.000006
C4H10S2 1,4-Butanedithiol -954.822294 -954.822288 -0.000006
P- Phosphorus atom anion -341.285857 -341.285851 -0.000006
P Phosphorus atom -341.285857 -341.285851 -0.000006
P+ Phosphorus atom cation -341.285857 -341.285851 -0.000006
LiO- lithium oxide anion -82.368623 -82.368617 -0.000006
LiO lithium oxide -82.368623 -82.368617 -0.000006
LiO+ lithium oxide cation -82.368623 -82.368617 -0.000006
CH2CHOCHCH2 Vinyl ether -231.196369 -231.196363 -0.000006
CCl2O Phosgene -1033.722815 -1033.722809 -0.000006
FSSF Difluorodisulfane -996.001703 -996.001697 -0.000006
CH3CH2OH Ethanol -155.033805 -155.033799 -0.000006
C5H8 1,3-Butadiene, 2-methyl- -195.310453 -195.310447 -0.000006
CHCCH2CH3 1-Butyne -155.984409 -155.984403 -0.000006
Ti- Titanium atom anion -849.345513 -849.345508 -0.000006
Ti Titanium atom -849.345513 -849.345508 -0.000006
Ti+ Titanium atom cation -849.345513 -849.345508 -0.000006
CH2C(CH3)OCH3 1-Propene, 2-methoxy- -232.428803 -232.428798 -0.000006
C(CH3)3SH 2-Propanethiol, 2-methyl- -556.643017 -556.643011 -0.000006
CH3N5 5-Aminotetrazole -313.608833 -313.608827 -0.000006
MgH- magnesium monohydride anion -200.654108 -200.654102 -0.000006
MgH magnesium monohydride -200.654108 -200.654102 -0.000006
MgH+ magnesium monohydride cation -200.654108 -200.654102 -0.000006
C5H8 Ethenylcyclopropane -195.291780 -195.291775 -0.000006
C2H4N4 1H-Tetrazole, 5-methyl- -297.575910 -297.575904 -0.000006
CH2CHOH ethenol -153.805678 -153.805672 -0.000006
AlN- aluminum mononitride anion -297.102978 -297.102972 -0.000006
AlN Aluminum nitride -297.102978 -297.102972 -0.000006
AlN+ aluminum mononitride cation -297.102978 -297.102972 -0.000006
HSO3F Fluorosulfonic acid -724.248471 -724.248465 -0.000006
CH3CH2CH2CH3 Butane -158.476590 -158.476584 -0.000006
C5H8O Methyl cyclopropyl ketone -270.544099 -270.544093 -0.000006
CO3-2 carbonate -263.586877 -263.586871 -0.000006
C5H8O 2H-Pyran, 3,4-dihydro- -270.544374 -270.544369 -0.000006
C3H8 Propane -119.144248 -119.144243 -0.000006
SO2F2 Sulfuryl fluoride -748.238379 -748.238374 -0.000006
Si- Silicon atom anion -287.922903 -287.922898 -0.000005
Si Silicon atom -287.922903 -287.922898 -0.000005
Si+ Silicon atom cation -287.922903 -287.922898 -0.000005
CH2CHCHClCH3 1-Butene, 3-chloro- -616.819023 -616.819018 -0.000005
C2F2 difluoroacetylene -275.736722 -275.736717 -0.000005
C6H10 1,4-Hexadiene, (E)- -234.616397 -234.616391 -0.000005
C2H6O3S Sulfurous acid, dimethyl ester -703.613580 -703.613575 -0.000005
HClO3 Chloric Acid -686.177435 -686.177429 -0.000005
C3H8 Propane -119.159152 -119.159147 -0.000005
NH4+ ammonium cation -56.893895 -56.893889 -0.000005
C5H12S 1-Propanethiol, 2,2-dimethyl- -595.952778 -595.952772 -0.000005
CH3CH2SH ethanethiol -478.012896 -478.012890 -0.000005
PN- phosphorus nitride anion -396.061835 -396.061830 -0.000005
PN Phosphorus mononitride -396.061835 -396.061830 -0.000005
PN+ phosphorus nitride cation -396.061835 -396.061830 -0.000005
SiH3- silyl anion -291.232268 -291.232263 -0.000005
SiH3 silyl -291.232268 -291.232263 -0.000005
SiH3+ silyl cation -291.232268 -291.232263 -0.000005
CH2CHCl Ethene, chloro- -538.195809 -538.195804 -0.000005
CH4 Methane -40.518389 -40.518383 -0.000005
CH4+ Methane cation -40.518389 -40.518383 -0.000005
CH3OCHO methyl formate -229.080712 -229.080706 -0.000005
AlN- aluminum mononitride anion -296.695383 -296.695378 -0.000005
AlN Aluminum nitride -296.695383 -296.695378 -0.000005
AlN+ aluminum mononitride cation -296.695383 -296.695378 -0.000005
Si- Silicon atom anion -287.866885 -287.866880 -0.000005
Si Silicon atom -287.866885 -287.866880 -0.000005
Si+ Silicon atom cation -287.866885 -287.866880 -0.000005
C2H3NO3 Oxamic acid -358.462418 -358.462412 -0.000005
C5H10 2-Pentene, (Z)- -196.538122 -196.538117 -0.000005
CHOCHCHCH3 2-Butenal -231.255526 -231.255521 -0.000005
HBr- hydrogen bromide anion -2572.275514 -2572.275509 -0.000005
HBr hydrogen bromide -2572.275514 -2572.275509 -0.000005
HBr+ hydrogen bromide cation -2572.275514 -2572.275509 -0.000005
HSe- selenium monohydride anion -2399.574075 -2399.574070 -0.000005
HSe Selenium monohydride -2399.574075 -2399.574070 -0.000005
HSe+ selenium monohydride cation -2399.574075 -2399.574070 -0.000005
C3H5 Allyl radical -117.275821 -117.275816 -0.000005
C3H5+ Allyl cation -117.275821 -117.275816 -0.000005
Se2- selenium dimer anion -4798.812379 -4798.812374 -0.000005
Se2 Selenium diatomic -4798.812379 -4798.812374 -0.000005
Se2+ selenium dimer cation -4798.812379 -4798.812374 -0.000005
CH3CH2SH ethanethiol -478.026760 -478.026755 -0.000005
SH- mercapto anion -398.357714 -398.357709 -0.000005
SH Mercapto radical -398.357714 -398.357709 -0.000005
SH+ sulfur monohydride cation -398.357714 -398.357709 -0.000005
CH3SiH3 methyl silane -331.210877 -331.210872 -0.000005
HNO- Nitrosyl hydride anion -130.455002 -130.454997 -0.000005
HNO Nitrosyl hydride -130.455002 -130.454997 -0.000005
HNO+ Nitrosyl hydride cation -130.455002 -130.454997 -0.000005
HSe- selenium monohydride anion -2399.512013 -2399.512008 -0.000005
HSe Selenium monohydride -2399.512013 -2399.512008 -0.000005
HSe+ selenium monohydride cation -2399.512013 -2399.512008 -0.000005
C6H5CH2CH3 Ethylbenzene -310.880231 -310.880226 -0.000005
C3H5 Allyl radical -116.972219 -116.972214 -0.000005
C3H5+ Allyl cation -116.972219 -116.972214 -0.000005
CH2Cl chloromethyl radical -499.438327 -499.438322 -0.000005
C2H2F2 Ethene, 1,2-difluoro-, (E)- -277.040862 -277.040857 -0.000005
CH2Cl chloromethyl radical -499.438329 -499.438324 -0.000005
C6H5 phenyl -231.561281 -231.561276 -0.000005
C5H8 Cyclopentene -195.345781 -195.345776 -0.000005
Al- Aluminum atom anion -242.382864 -242.382859 -0.000005
Al Aluminum atom -242.382864 -242.382859 -0.000005
Al+ Aluminum atom cation -242.382864 -242.382859 -0.000005
C3H4N2 4H-Imidazole -226.191785 -226.191780 -0.000005
C3H6O Propylene oxide -193.108518 -193.108513 -0.000005
BF- Boron monofluoride anion -124.658039 -124.658034 -0.000005
BF Boron monofluoride -124.658039 -124.658034 -0.000005
BF+ Boron monofluoride cation -124.658039 -124.658034 -0.000005
HCS- Thioformyl anion -436.814638 -436.814634 -0.000005
HCS Thioformyl radical -436.814638 -436.814634 -0.000005
HCS+ Thioformyl cation -436.814638 -436.814634 -0.000005
NCl- nitrogen monochloride anion -514.417983 -514.417978 -0.000005
NCl nitrogen monochloride -514.417983 -514.417978 -0.000005
NCl+ nitrogen monochloride cation -514.417983 -514.417978 -0.000005
SiH2- silicon dihydride anion -290.613149 -290.613144 -0.000005
SiH2 silicon dihydride -290.613149 -290.613144 -0.000005
SiH2+ silicon dihydride cation -290.613149 -290.613144 -0.000005
C5H10 1-Butene, 2-methyl- -196.539591 -196.539586 -0.000005
C6H12O2 Methyl pivalate -386.330149 -386.330144 -0.000005
PCl- phosphorus monochloride anion -801.544237 -801.544233 -0.000005
PCl phosphorus chloride -801.544237 -801.544233 -0.000005
PCl+ phosphorus monochloride cation -801.544237 -801.544233 -0.000005
Ar- Argon atom anion -525.064102 -525.064097 -0.000005
Ar Argon atom -525.064102 -525.064097 -0.000005
Ar+ Argon atom cation -525.064102 -525.064097 -0.000005
PCl- phosphorus monochloride anion -801.511590 -801.511586 -0.000004
PCl phosphorus chloride -801.511590 -801.511586 -0.000004
PCl+ phosphorus monochloride cation -801.511590 -801.511586 -0.000004
SiH2- silicon dihydride anion -290.617239 -290.617235 -0.000004
SiH2 silicon dihydride -290.617239 -290.617235 -0.000004
SiH2+ silicon dihydride cation -290.617239 -290.617235 -0.000004
PN- phosphorus nitride anion -395.627254 -395.627250 -0.000004
PN Phosphorus mononitride -395.627254 -395.627250 -0.000004
PN+ phosphorus nitride cation -395.627254 -395.627250 -0.000004
SiC- silicon monocarbide anion -327.329692 -327.329688 -0.000004
SiC silicon monocarbide -327.329692 -327.329688 -0.000004
SiC+ silicon monocarbide cation -327.329692 -327.329688 -0.000004
SiO- silicon monoxide anion -364.699296 -364.699292 -0.000004
SiO Silicon monoxide -364.699296 -364.699292 -0.000004
SiO+ silicon monoxide cation -364.699296 -364.699292 -0.000004
C5H8 Cyclopentene -195.327142 -195.327137 -0.000004
C3H4N2 1H-Pyrazole -226.219000 -226.218996 -0.000004
C6H4F2 1,4-difluorobenzene -430.713873 -430.713868 -0.000004
C5H4N4 purine -411.946350 -411.946346 -0.000004
MgS- magnesium sulfide anion -598.327320 -598.327316 -0.000004
MgS magnesium sulfide -598.327320 -598.327316 -0.000004
MgS+ magnesium sulfide cation -598.327320 -598.327316 -0.000004
NS- nitrogen sulfide anion -452.858661 -452.858657 -0.000004
NS Mononitrogen monosulfide -452.858661 -452.858657 -0.000004
NS+ nitrogen sulfide cation -452.858661 -452.858657 -0.000004
H2CCCCH2 Butatriene -154.745995 -154.745991 -0.000004
SiH- silicon monohydride anion -289.695289 -289.695284 -0.000004
SiH Silylidyne -289.695289 -289.695284 -0.000004
SiH+ silicon monohydride cation -289.695289 -289.695284 -0.000004
CH2CH2OH 2-hydroxy ethyl radical -154.357301 -154.357297 -0.000004
C6H8 1,4-Cyclohexadiene -233.439839 -233.439835 -0.000004
CHOCH2OH hydroxy acetaldehyde -229.035797 -229.035793 -0.000004
CH3OCH2 methoxymethyl radical -154.361822 -154.361818 -0.000004
HCONH2CN2H4 formamide aminomethanimine dimer -318.158728 -318.158724 -0.000004
NS- nitrogen sulfide anion -452.842048 -452.842044 -0.000004
NS Mononitrogen monosulfide -452.842048 -452.842044 -0.000004
NS+ nitrogen sulfide cation -452.842048 -452.842044 -0.000004
CS- carbon monosulfide anion -435.791152 -435.791148 -0.000004
CS carbon monosulfide -435.791152 -435.791148 -0.000004
CS+ carbon monosulfide cation -435.791152 -435.791148 -0.000004
AlF2Cl Aluminum chloride difluoride -902.526407 -902.526403 -0.000004
SCN- thiocyanide anion -490.985115 -490.985111 -0.000004
SCN thiocyanato radical -490.985115 -490.985111 -0.000004
C3H3N3 1,3,5-Triazine -280.364775 -280.364770 -0.000004
CO- carbon monoxide anion -113.214591 -113.214587 -0.000004
CO Carbon monoxide -113.214591 -113.214587 -0.000004
CO+ carbon monoxide cation -113.214591 -113.214587 -0.000004
C3H6 Cyclopropane -117.895207 -117.895203 -0.000004
C5H8 1,2-Pentadiene -195.289464 -195.289460 -0.000004
CH3OCHO methyl formate -229.063014 -229.063010 -0.000004
SH- mercapto anion -398.806252 -398.806248 -0.000004
SH Mercapto radical -398.806252 -398.806248 -0.000004
SH+ sulfur monohydride cation -398.806252 -398.806248 -0.000004
C2H4F2 1,2-difluoroethane -278.277995 -278.277991 -0.000004
AlH- aluminum monohydride anion -242.979621 -242.979617 -0.000004
AlH aluminum monohydride -242.979621 -242.979617 -0.000004
AlH+ aluminum monohydride cation -242.979621 -242.979617 -0.000004
BH4- borohydride anion -27.247118 -27.247114 -0.000004
BeO- Beryllium monoxide anion -89.900370 -89.900366 -0.000004
BeO beryllium oxide -89.900370 -89.900366 -0.000004
BeO+ Beryllium monoxide cation -89.900370 -89.900366 -0.000004
BF- Boron monofluoride anion -124.576470 -124.576466 -0.000004
BF Boron monofluoride -124.576470 -124.576466 -0.000004
BF+ Boron monofluoride cation -124.576470 -124.576466 -0.000004
C5H6 1,3-Cyclopentadiene -194.119816 -194.119812 -0.000004
C5H8O Cyclopentanone -270.572827 -270.572823 -0.000004
CH3CONH2 Acetamide -209.212203 -209.212199 -0.000004
CH4 Methane -40.005233 -40.005229 -0.000004
CH4+ Methane cation -40.005233 -40.005229 -0.000004
CS2 Carbon disulfide -834.488872 -834.488868 -0.000004
CS2+ Carbon disulfide cation -834.488872 -834.488868 -0.000004
OCS Carbonyl sulfide -511.125658 -511.125654 -0.000004
OCS+ Carbonyl sulfide cation -511.125658 -511.125654 -0.000004
CH3OCH2CN Methoxyacetonitrile -247.260453 -247.260449 -0.000004
NO- nitric oxide anion -129.865755 -129.865751 -0.000004
NO Nitric oxide -129.865755 -129.865751 -0.000004
NO+ nitric oxide cation -129.865755 -129.865751 -0.000004
C6H4 Benzyne -230.909948 -230.909944 -0.000004
HOF Hypofluorous acid -175.522486 -175.522482 -0.000004
AlO- Aluminum monoxide anion -317.692696 -317.692693 -0.000004
AlO Aluminum monoxide -317.692696 -317.692693 -0.000004
AlO+ aluminum monoxide cation -317.692696 -317.692693 -0.000004
C4H9NO Propanamide, 2-methyl- -287.841027 -287.841023 -0.000004
CH3NH2 methyl amine -95.853209 -95.853205 -0.000004
SiH3- silyl anion -291.271842 -291.271838 -0.000004
SiH3 silyl -291.271842 -291.271838 -0.000004
SiH3+ silyl cation -291.271842 -291.271838 -0.000004
C3H5Cl 1-chloro-1-propene(Z) -577.505510 -577.505506 -0.000004
H2OHCOOH Water formic acid dimer 1 -266.315132 -266.315129 -0.000004
DCl Hydrochloric acid-d -460.795700 -460.795696 -0.000004
HCl- hydrogen chloride anion -460.795700 -460.795696 -0.000004
HCl Hydrogen chloride -460.795700 -460.795696 -0.000004
HCl+ hydrogen chloride cation -460.795700 -460.795696 -0.000004
CCl3- Trichloromethyl anion -1418.690914 -1418.690910 -0.000004
CCl3 Trichloromethyl radical -1418.690914 -1418.690910 -0.000004
CCl3+ Trichloromethyl cation -1418.690914 -1418.690910 -0.000004
SSO Disulfur monoxide -871.564686 -871.564682 -0.000004
Al2- aluminum dimer anion -484.780176 -484.780173 -0.000004
Al2 Aluminum diatomic -484.780176 -484.780173 -0.000004
Al2+ aluminum dimer cation -484.780176 -484.780173 -0.000004
CP- carbon monophosphide anion -378.897895 -378.897891 -0.000004
CP Carbon monophosphide -378.897895 -378.897891 -0.000004
CP+ carbon monophosphide cation -378.897895 -378.897891 -0.000004
C2H4N4 1H-Tetrazole, 1-methyl- -297.567464 -297.567460 -0.000004
C5H10 2-Butene, 2-methyl- -196.564433 -196.564430 -0.000004
C2H4N2O2 Oxalamide -338.601301 -338.601298 -0.000004
NO- nitric oxide anion -129.810172 -129.810168 -0.000004
NO Nitric oxide -129.810172 -129.810168 -0.000004
NO+ nitric oxide cation -129.810172 -129.810168 -0.000004
C3H7N Cyclopropylamine -173.240289 -173.240285 -0.000004
Ar- Argon atom anion -525.182855 -525.182852 -0.000004
Ar Argon atom -525.182855 -525.182852 -0.000004
Ar+ Argon atom cation -525.182855 -525.182852 -0.000004
PH3 Phosphine -342.780515 -342.780511 -0.000004
PH3+ Phosphine cation -342.780515 -342.780511 -0.000004
LiN Lithium Nitride -61.878659 -61.878656 -0.000004
LiN+ Lithium Nitride cation -61.878659 -61.878656 -0.000004
Si- Silicon atom anion -289.388655 -289.388652 -0.000004
Si Silicon atom -289.388655 -289.388652 -0.000004
Si+ Silicon atom cation -289.388655 -289.388652 -0.000004
CH2OOH CH2OOH -190.181725 -190.181722 -0.000004
SiN- silicon mononitride anion -343.746790 -343.746787 -0.000003
SiN Silicon nitride -343.746790 -343.746787 -0.000003
SiN+ silicon mononitride cation -343.746790 -343.746787 -0.000003
Se- Selenium atom anion -2399.461658 -2399.461655 -0.000003
Se Selenium atom -2399.461658 -2399.461655 -0.000003
Se+ Selenium atom cation -2399.461658 -2399.461655 -0.000003
C2HF3 Trifluoroethylene -375.923032 -375.923028 -0.000003
C2HF3+ Trifluoroethylene cation -375.923032 -375.923028 -0.000003
HCS- Thioformyl anion -436.520711 -436.520708 -0.000003
HCS Thioformyl radical -436.520711 -436.520708 -0.000003
HCS+ Thioformyl cation -436.520711 -436.520708 -0.000003
CH3COCH2CH3 2-Butanone -232.470559 -232.470556 -0.000003
AlH3- aluminum trihydride anion -243.815580 -243.815577 -0.000003
AlH3 aluminum trihydride -243.815580 -243.815577 -0.000003
AlH3+ aluminum trihydride cation -243.815580 -243.815577 -0.000003
SiC- silicon monocarbide anion -326.988325 -326.988321 -0.000003
SiC silicon monocarbide -326.988325 -326.988321 -0.000003
SiC+ silicon monocarbide cation -326.988325 -326.988321 -0.000003
HNS- HNS- -453.463228 -453.463225 -0.000003
HNS HNS -453.463228 -453.463225 -0.000003
SiP- Silicon monophosphide anion -630.857151 -630.857147 -0.000003
SiP Silicon monophosphide -630.857151 -630.857147 -0.000003
SiP+ Silicon monophosphide cation -630.857151 -630.857147 -0.000003
CH3CH2CH2CH3 Butane -158.458047 -158.458044 -0.000003
C2H5F fluoroethane -179.080110 -179.080106 -0.000003
C3H6O2 1,3-Dioxolane -268.344094 -268.344091 -0.000003
CH3CHCl2 Ethane, 1,1-dichloro- -999.016511 -999.016507 -0.000003
AlH2- aluminum dihydride anion -243.303388 -243.303385 -0.000003
AlH2 aluminum dihydride -243.303388 -243.303385 -0.000003
AlH2+ aluminum dihydride cation -243.303388 -243.303385 -0.000003
HCF Fluoromethylene -138.380563 -138.380559 -0.000003
B2H6 Diborane -53.288287 -53.288284 -0.000003
DS Mercapto-d -398.740027 -398.740023 -0.000003
CH2CHCHCH2 1,3-Butadiene -155.992143 -155.992140 -0.000003
CHFCl2 fluorodichloromethane -1058.922840 -1058.922837 -0.000003
H2S- Hydrogen sulfide anion -399.004264 -399.004261 -0.000003
H2S Hydrogen sulfide -399.004264 -399.004261 -0.000003
H2S+ Hydrogen sulfide cation -399.004264 -399.004261 -0.000003
CH3PH2 Methyl phosphine -382.457778 -382.457775 -0.000003
CP- carbon monophosphide anion -379.293271 -379.293268 -0.000003
CP Carbon monophosphide -379.293271 -379.293268 -0.000003
CP+ carbon monophosphide cation -379.293271 -379.293268 -0.000003
C4H4N2 Pyridazine -264.304867 -264.304864 -0.000003
C3H6S3 Carbonotrithioic acid, dimethyl ester -1312.497465 -1312.497462 -0.000003
CH3OHH2O methanol water dimer -192.245634 -192.245631 -0.000003
SiCl3 trichlorosilyl radical -1670.180776 -1670.180773 -0.000003
SiCl3+ trichlorosilyl cation -1670.180776 -1670.180773 -0.000003
C4H10O Ethanol, 1,1-dimethyl- -233.670958 -233.670955 -0.000003
B2H6 Diborane -53.297393 -53.297390 -0.000003
C3H7NO dimethylformamide -248.512248 -248.512245 -0.000003
C5H6S Thiophene, 3-methyl- -592.321520 -592.321517 -0.000003
Mg2- magnesium dimer anion -399.925996 -399.925993 -0.000003
Mg2 Magnesium diatomic -399.925996 -399.925993 -0.000003
Mg2+ magnesium dimer cation -399.925996 -399.925993 -0.000003
CP- carbon monophosphide anion -379.379251 -379.379248 -0.000003
CP Carbon monophosphide -379.379251 -379.379248 -0.000003
CP+ carbon monophosphide cation -379.379251 -379.379248 -0.000003
CH2CHCONH2 Acrylamide -247.291558 -247.291555 -0.000003
PO- phosphorus monoxide anion -416.221475 -416.221472 -0.000003
PO Phosphorus monoxide -416.221475 -416.221472 -0.000003
PO+ phosphorus monoxide cation -416.221475 -416.221472 -0.000003
CH2CHCH3 Propene -117.907562 -117.907559 -0.000003
C3H8O2 Propylene glycol -269.561338 -269.561335 -0.000003
H2F+ dihydrogen fluoride cation -100.623086 -100.623083 -0.000003
C5H7N (Z)-2-Pentenenitrile -249.467462 -249.467459 -0.000003
H2OHCOOH Water formic acid dimer 1 -266.309603 -266.309600 -0.000003
CF3OF Trifluoromethylhypofluorite -512.563023 -512.563021 -0.000003
S- Sulfur atom anion -10.065050 -10.065047 -0.000003
S Sulfur atom -10.065050 -10.065047 -0.000003
S+ Sulfur atom cation -10.065050 -10.065047 -0.000003
CF3- Trifluoromethyl anion -337.226297 -337.226294 -0.000003
CF3 Trifluoromethyl radical -337.226297 -337.226294 -0.000003
CF3+ Trifluoromethyl cation -337.226297 -337.226294 -0.000003
CF2- Difluoromethylene anion -237.663065 -237.663063 -0.000003
CF2 Difluoromethylene -237.663065 -237.663063 -0.000003
CF2+ Difluoromethylene cation -237.663065 -237.663063 -0.000003
OCS Carbonyl sulfide -511.535549 -511.535546 -0.000003
OCS+ Carbonyl sulfide cation -511.535549 -511.535546 -0.000003
C4H12N2 2-Methyl-1,2-propanediamine -269.142915 -269.142913 -0.000003
Se- Selenium atom anion -2399.324030 -2399.324027 -0.000003
Se Selenium atom -2399.324030 -2399.324027 -0.000003
Se+ Selenium atom cation -2399.324030 -2399.324027 -0.000003
BeOH beryllium hydroxide -90.566759 -90.566756 -0.000003
H2OCH3OH water methanol dimer -192.135333 -192.135330 -0.000003
AlN- aluminum mononitride anion -297.003386 -297.003384 -0.000003
AlN Aluminum nitride -297.003386 -297.003384 -0.000003
AlN+ aluminum mononitride cation -297.003386 -297.003384 -0.000003
CH3SH Methanethiol -438.708419 -438.708416 -0.000003
BeO- Beryllium monoxide anion -89.960710 -89.960707 -0.000003
BeO beryllium oxide -89.960710 -89.960707 -0.000003
BeO+ Beryllium monoxide cation -89.960710 -89.960707 -0.000003
N2H4 Hydrazine -111.881488 -111.881485 -0.000003
CF- carbon monofluoride anion -137.436299 -137.436296 -0.000003
CF Fluoromethylidyne -137.436299 -137.436296 -0.000003
CF+ carbon monofluoride cation -137.436299 -137.436296 -0.000003
C4H5N Pyrrole -210.188174 -210.188171 -0.000003
H2CO- formaldehyde anion -113.861435 -113.861433 -0.000003
H2CO Formaldehyde -113.861435 -113.861433 -0.000003
H2CO+ formaldehyde cation -113.861435 -113.861433 -0.000003
AlH- aluminum monohydride anion -242.983019 -242.983016 -0.000003
AlH aluminum monohydride -242.983019 -242.983016 -0.000003
AlH+ aluminum monohydride cation -242.983019 -242.983016 -0.000003
C3H7SH 1-Propanethiol -517.326702 -517.326699 -0.000003
C3H3N acrylonitrile -170.845004 -170.845001 -0.000003
C3H3N+ acrylonitrile cation -170.845004 -170.845001 -0.000003
BeS- Beryllium monosulfide anion -412.897682 -412.897679 -0.000003
BeS beryllium sulfide -412.897682 -412.897679 -0.000003
BeS+ Beryllium monosulfide cation -412.897682 -412.897679 -0.000003
C4H4N2 Succinonitrile -264.301388 -264.301385 -0.000003
Se- Selenium atom anion -2399.306135 -2399.306132 -0.000003
Se Selenium atom -2399.306135 -2399.306132 -0.000003
Se+ Selenium atom cation -2399.306135 -2399.306132 -0.000003
FCN Cyanogen fluoride -192.630950 -192.630947 -0.000003
C4H4N2 Succinonitrile -264.318618 -264.318616 -0.000003
C2H3CCH 1-Buten-3-yne -154.733801 -154.733798 -0.000003
SiCl3 trichlorosilyl radical -1669.878676 -1669.878673 -0.000003
SiCl3+ trichlorosilyl cation -1669.878676 -1669.878673 -0.000003
LiO- lithium oxide anion -82.684450 -82.684448 -0.000003
LiO lithium oxide -82.684450 -82.684448 -0.000003
LiO+ lithium oxide cation -82.684450 -82.684448 -0.000003
FO2 Dioxygen monofluoride -250.076763 -250.076761 -0.000003
C4H4N2 1,3-Diazine -264.323726 -264.323724 -0.000003
C5H6 Bicyclo[2.1.0]pent-2-ene -194.024374 -194.024372 -0.000003
H2S- Hydrogen sulfide anion -399.385435 -399.385433 -0.000003
H2S Hydrogen sulfide -399.385435 -399.385433 -0.000003
H2S+ Hydrogen sulfide cation -399.385435 -399.385433 -0.000003
FO- flourine oxide anion -174.869582 -174.869580 -0.000003
FO Oxygen monofluoride -174.869582 -174.869580 -0.000003
FO+ fluorine monoxide cation -174.869582 -174.869580 -0.000003
C4H6OS Vinyl sulfoxide -629.339325 -629.339322 -0.000003
CH2Cl chloromethyl radical -499.438327 -499.438324 -0.000003
H2OCH3OH water methanol dimer -192.250799 -192.250796 -0.000003
HOCH2COOH Hydroxyacetic acid -304.286009 -304.286006 -0.000003
C4H4N2 Pyridazine -264.287588 -264.287586 -0.000003
BS- boron monosulfide anion -422.969848 -422.969845 -0.000003
BS boron sulfide -422.969848 -422.969845 -0.000003
BS+ boron monosulfide cation -422.969848 -422.969845 -0.000003
AlH2- aluminum dihydride anion -243.596498 -243.596496 -0.000002
AlH2 aluminum dihydride -243.596498 -243.596496 -0.000002
AlH2+ aluminum dihydride cation -243.596498 -243.596496 -0.000002
CH3PH2 Methyl phosphine -382.468447 -382.468444 -0.000002
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- -616.826253 -616.826250 -0.000002
PH3 Phosphine -343.140283 -343.140281 -0.000002
PH3+ Phosphine cation -343.140283 -343.140281 -0.000002
SiF2 Silicon difluoride -489.138160 -489.138157 -0.000002
LiCl- lithium chloride anion -467.796285 -467.796283 -0.000002
LiCl lithium chloride -467.796285 -467.796283 -0.000002
LiCl+ lithium chloride cation -467.796285 -467.796283 -0.000002
CHONH2 formamide -169.888843 -169.888841 -0.000002
BeOH beryllium hydroxide -90.584122 -90.584120 -0.000002
N2H4 Hydrazine -111.856448 -111.856446 -0.000002
NS- nitrogen sulfide anion -452.892853 -452.892851 -0.000002
NS Mononitrogen monosulfide -452.892853 -452.892851 -0.000002
NS+ nitrogen sulfide cation -452.892853 -452.892851 -0.000002
C4H4N2 1,3-Diazine -264.340810 -264.340807 -0.000002
LiCl- lithium chloride anion -467.814180 -467.814177 -0.000002
LiCl lithium chloride -467.814180 -467.814177 -0.000002
LiCl+ lithium chloride cation -467.814180 -467.814177 -0.000002
Mg2- magnesium dimer anion -400.159226 -400.159224 -0.000002
Mg2 Magnesium diatomic -400.159226 -400.159224 -0.000002
Mg2+ magnesium dimer cation -400.159226 -400.159224 -0.000002
NH2CONH2 Urea -225.260458 -225.260456 -0.000002
NH2CONH2+ Urea cation -225.260458 -225.260456 -0.000002
C5H12O 3-Pentanol -272.980746 -272.980744 -0.000002
Al- Aluminum atom anion -241.084344 -241.084342 -0.000002
Al Aluminum atom -241.084344 -241.084342 -0.000002
Al+ Aluminum atom cation -241.084344 -241.084342 -0.000002
CS- carbon monosulfide anion -436.209305 -436.209303 -0.000002
CS carbon monosulfide -436.209305 -436.209303 -0.000002
CS+ carbon monosulfide cation -436.209305 -436.209303 -0.000002
H2OH2CO water formaldehyde dimer -190.953676 -190.953674 -0.000002
CH2CHF Ethene, fluoro- -177.819640 -177.819638 -0.000002
CH2CHF+ fluoroethene cation -177.819640 -177.819638 -0.000002
Zn- Zinc atom anion -65.595805 -65.595803 -0.000002
Zn Zinc atom -65.595805 -65.595803 -0.000002
Zn+ Zinc atom cation -65.595805 -65.595803 -0.000002
BeS- Beryllium monosulfide anion -412.971331 -412.971328 -0.000002
BeS beryllium sulfide -412.971331 -412.971328 -0.000002
BeS+ Beryllium monosulfide cation -412.971331 -412.971328 -0.000002
D2S Hydrogen sulfide-d2 -399.393581 -399.393579 -0.000002
H2S- Hydrogen sulfide anion -399.393581 -399.393579 -0.000002
H2S Hydrogen sulfide -399.393581 -399.393579 -0.000002
H2S+ Hydrogen sulfide cation -399.393581 -399.393579 -0.000002
BeF- Beryllium monofluoride anion -114.275878 -114.275876 -0.000002
BeF Beryllium monofluoride -114.275878 -114.275876 -0.000002
BeF+ Beryllium monofluoride cation -114.275878 -114.275876 -0.000002
C(CH3)3NH2 2-Propanamine, 2-methyl- -213.803110 -213.803108 -0.000002
MgH2 magnesium dihydride -201.247234 -201.247232 -0.000002
CP- carbon monophosphide anion -378.848226 -378.848224 -0.000002
CP Carbon monophosphide -378.848226 -378.848224 -0.000002
CP+ carbon monophosphide cation -378.848226 -378.848224 -0.000002
HOCO Hydrocarboxyl radical -189.087830 -189.087828 -0.000002
HOCO+ Hydrocarboxyl cation -189.087830 -189.087828 -0.000002
CH3OHH2O methanol water dimer -192.249974 -192.249972 -0.000002
CH3Li methyl lithium -47.401122 -47.401120 -0.000002
NO2- Nitrogen dioxide anion -205.083887 -205.083885 -0.000002
NO2 Nitrogen dioxide -205.083887 -205.083885 -0.000002
NO2+ Nitrogen dioxide cation -205.083887 -205.083885 -0.000002
SO- sulfur monoxide anion -472.967126 -472.967124 -0.000002
SO Sulfur monoxide -472.967126 -472.967124 -0.000002
SO+ sulfur monoxide cation -472.967126 -472.967124 -0.000002
LiH- lithium hydride anion -8.081923 -8.081921 -0.000002
LiH Lithium Hydride -8.081923 -8.081921 -0.000002
LiH+ lithium hydride cation -8.081923 -8.081921 -0.000002
CH3NH2 methyl amine -95.871850 -95.871848 -0.000002
C4H5NO Isoxazole, 5-methyl- -285.359310 -285.359308 -0.000002
CH3S thiomethoxy -438.059724 -438.059722 -0.000002
NH3O Ammonia Oxide -131.660962 -131.660960 -0.000002
CH3OO- methylperoxy anion -189.823573 -189.823571 -0.000002
CH3OO methylperoxy radical -189.823573 -189.823571 -0.000002
CH3OO+ methylperoxy cation -189.823573 -189.823571 -0.000002
HO2- Hydroperoxy anion -150.462597 -150.462595 -0.000002
HO2 Hydroperoxy radical -150.462597 -150.462595 -0.000002
HO2+ Hydroperoxy cation -150.462597 -150.462595 -0.000002
CH2N4 1H-Tetrazole -258.268050 -258.268048 -0.000002
C4H8Cl2 1,4-Dichlorobutane -1077.648319 -1077.648317 -0.000002
C4H5N (Z)-2-Butenenitrile -210.154020 -210.154018 -0.000002
Se- Selenium atom anion -2399.094512 -2399.094510 -0.000002
Se Selenium atom -2399.094512 -2399.094510 -0.000002
Se+ Selenium atom cation -2399.094512 -2399.094510 -0.000002
HSO3F Fluorosulfonic acid -724.222206 -724.222204 -0.000002
Cu- Copper atom anion -196.116808 -196.116806 -0.000002
Cu Copper atom -196.116808 -196.116806 -0.000002
Cu+ Copper atom cation -196.116808 -196.116806 -0.000002
BeH2 beryllium dihydride -15.917469 -15.917467 -0.000002
NaCl- sodium chloride anion -622.229714 -622.229712 -0.000002
NaCl Sodium Chloride -622.229714 -622.229712 -0.000002
NaCl+ sodium chloride cation -622.229714 -622.229712 -0.000002
SO2- Sulfur dioxide anion -548.143781 -548.143779 -0.000002
SO2 Sulfur dioxide -548.143781 -548.143779 -0.000002
SO2+ Sulfur dioxide cation -548.143781 -548.143779 -0.000002
O- Oxygen atom anion -75.085386 -75.085384 -0.000002
O Oxygen atom -75.085386 -75.085384 -0.000002
O+ Oxygen atom cation -75.085386 -75.085384 -0.000002
C4H9NO Butanamide -287.840638 -287.840636 -0.000002
CNO- fulminate -167.996058 -167.996056 -0.000002
H2OCH3OH water methanol dimer -192.178895 -192.178893 -0.000002
Cl- Chlorine atom anion -460.310516 -460.310514 -0.000002
Cl Chlorine atom -460.310516 -460.310514 -0.000002
Cl+ Chlorine atom cation -460.310516 -460.310514 -0.000002
CH2CHCHO Acrolein -191.911973 -191.911972 -0.000002
CHOCHCHCH3 2-Butenal -231.234183 -231.234182 -0.000002
HCF Fluoromethylene -138.415964 -138.415962 -0.000002
CH2F fluoromethyl radical -139.064267 -139.064265 -0.000002
CH3NO2 Methane, nitro- -245.009333 -245.009331 -0.000002
O- Oxygen atom anion -75.064579 -75.064578 -0.000002
O Oxygen atom -75.064579 -75.064578 -0.000002
O+ Oxygen atom cation -75.064579 -75.064578 -0.000002
CO2- Carbon dioxide anion -188.080039 -188.080038 -0.000002
CO2 Carbon dioxide -188.080039 -188.080038 -0.000002
CO2+ Carbon dioxide cation -188.080039 -188.080038 -0.000002
Se- Selenium atom anion -2399.359277 -2399.359275 -0.000002
Se Selenium atom -2399.359277 -2399.359275 -0.000002
Se+ Selenium atom cation -2399.359277 -2399.359275 -0.000002
C3H3N acrylonitrile -170.450556 -170.450555 -0.000002
C3H3N+ acrylonitrile cation -170.450556 -170.450555 -0.000002
AlF3 Aluminum trifluoride -542.170252 -542.170250 -0.000002
SiP- Silicon monophosphide anion -630.753742 -630.753741 -0.000002
SiP Silicon monophosphide -630.753742 -630.753741 -0.000002
SiP+ Silicon monophosphide cation -630.753742 -630.753741 -0.000002
C3H7N Cyclopropylamine -173.264891 -173.264890 -0.000002
Se- Selenium atom anion -2398.948298 -2398.948296 -0.000002
Se Selenium atom -2398.948298 -2398.948296 -0.000002
Se+ Selenium atom cation -2398.948298 -2398.948296 -0.000002
CH2N4 1H-Tetrazole -258.250904 -258.250903 -0.000001
C4H5NS 4-Methylthiazole -608.368503 -608.368501 -0.000001
B2H4 Diborane(4) D2d -52.044465 -52.044463 -0.000001
CH3Cl Methyl chloride -500.108535 -500.108534 -0.000001
BO- boron monoxide anion -100.080528 -100.080526 -0.000001
BO boron monoxide -100.080528 -100.080526 -0.000001
BO+ boron monoxide cation -100.080528 -100.080526 -0.000001
SiH2Cl2 dichlorosilane -1211.185588 -1211.185587 -0.000001
CHClCHCH2CH3 (E)-1-Chloro-1-butene -616.818931 -616.818929 -0.000001
H3+ hydrogen trimer cation -1.328359 -1.328357 -0.000001
C3H4N2 1H-Pyrazole -226.198601 -226.198599 -0.000001
CH3OHH2O methanol water dimer -192.178049 -192.178047 -0.000001
Na- Sodium atom anion -162.087523 -162.087522 -0.000001
Na Sodium atom -162.087523 -162.087522 -0.000001
Na+ Sodium atom cation -162.087523 -162.087522 -0.000001
CH2CHCHO Acrolein -191.929923 -191.929921 -0.000001
HCCF Fluoroacetylene -176.139300 -176.139299 -0.000001
HCCF+ fluoroacetylene cation -176.139300 -176.139299 -0.000001
H2OH2CO water formaldehyde dimer -191.021229 -191.021228 -0.000001
C2H- Ethynyl anion -76.092600 -76.092599 -0.000001
C2H Ethynyl radical -76.092600 -76.092599 -0.000001
C2H+ Ethynyl cation -76.092600 -76.092599 -0.000001
Na- Sodium atom anion -162.087461 -162.087460 -0.000001
Na Sodium atom -162.087461 -162.087460 -0.000001
Na+ Sodium atom cation -162.087461 -162.087460 -0.000001
Na- Sodium atom anion -162.087461 -162.087460 -0.000001
Na Sodium atom -162.087461 -162.087460 -0.000001
Na+ Sodium atom cation -162.087461 -162.087460 -0.000001
NH2CH2CH2COOH β–alanine -323.740329 -323.740328 -0.000001
C2H- Ethynyl anion -76.095496 -76.095495 -0.000001
C2H Ethynyl radical -76.095496 -76.095495 -0.000001
C2H+ Ethynyl cation -76.095496 -76.095495 -0.000001
SiHCl3 Trichlorosilane -1670.828417 -1670.828415 -0.000001
SiH2- silicon dihydride anion -290.642925 -290.642924 -0.000001
SiH2 silicon dihydride -290.642925 -290.642924 -0.000001
SiH2+ silicon dihydride cation -290.642925 -290.642924 -0.000001
N2O- Nitrous oxide anion -184.189288 -184.189287 -0.000001
N2O Nitrous oxide -184.189288 -184.189287 -0.000001
N2O+ Nitrous oxide cation -184.189288 -184.189287 -0.000001
BF- Boron monofluoride anion -124.261702 -124.261701 -0.000001
BF Boron monofluoride -124.261702 -124.261701 -0.000001
BF+ Boron monofluoride cation -124.261702 -124.261701 -0.000001
HF- hydrogen fluoride anion -100.300306 -100.300305 -0.000001
HF Hydrogen fluoride -100.300306 -100.300305 -0.000001
HF+ hydrogen fluoride cation -100.300306 -100.300305 -0.000001
BeCl- beryllium monochloride anion -474.633257 -474.633255 -0.000001
BeCl beryllium chloride -474.633257 -474.633255 -0.000001
BeCl+ beryllium monochloride cation -474.633257 -474.633255 -0.000001
CH3OHH2O methanol water dimer -191.071582 -191.071581 -0.000001
C2H5F fluoroethane -179.056423 -179.056422 -0.000001
C2H4- Ethylene anion -78.599646 -78.599644 -0.000001
C2H4 Ethylene -78.599646 -78.599644 -0.000001
C2H4+ Ethylene cation -78.599646 -78.599644 -0.000001
BCl- boron monochloride anion -484.978340 -484.978339 -0.000001
BCl boron monochloride -484.978340 -484.978339 -0.000001
BCl+ boron monochloride cation -484.978340 -484.978339 -0.000001
C3H5 Allyl radical -117.260352 -117.260351 -0.000001
C3H5+ Allyl cation -117.260352 -117.260351 -0.000001
CH3ONO Methyl nitrite -245.007960 -245.007959 -0.000001
H2OHCOOH Water formic acid dimer 2 -266.175587 -266.175586 -0.000001
H2OH2CO water formaldehyde dimer -190.920279 -190.920278 -0.000001
H2OH2O water dimer -151.972383 -151.972382 -0.000001
BH3NH3 borane ammonia -83.213208 -83.213207 -0.000001
CH3NC methyl isocyanide -132.716573 -132.716572 -0.000001
C4H6O2 2,3-Butanedione -306.476024 -306.476022 -0.000001
CH2- methylene anion -38.772596 -38.772595 -0.000001
CH2 Methylene -38.772596 -38.772595 -0.000001
CH2+ methylene cation -38.772596 -38.772595 -0.000001
Na2- sodium dimer anion -324.602071 -324.602070 -0.000001
Na2 Sodium diatomic -324.602071 -324.602070 -0.000001
Na2+ sodium dimer cation -324.602071 -324.602070 -0.000001
COHCl Formyl chloride -574.117000 -574.116999 -0.000001
C5H6 1-Buten-3-yne, 2-methyl- -194.052894 -194.052892 -0.000001
P- Phosphorus atom anion -6.433612 -6.433611 -0.000001
P Phosphorus atom -6.433612 -6.433611 -0.000001
P+ Phosphorus atom cation -6.433612 -6.433611 -0.000001
OH- hydroxide anion -75.136218 -75.136217 -0.000001
OH Hydroxyl radical -75.136218 -75.136217 -0.000001
OH+ hydoxyl cation -75.136218 -75.136217 -0.000001
CH3OO- methylperoxy anion -190.215231 -190.215230 -0.000001
CH3OO methylperoxy radical -190.215231 -190.215230 -0.000001
CH3OO+ methylperoxy cation -190.215231 -190.215230 -0.000001
BeN- Beryllium mononitride anion -69.326464 -69.326463 -0.000001
BeN Beryllium mononitride -69.326464 -69.326463 -0.000001
BeN+ Beryllium mononitride cation -69.326464 -69.326463 -0.000001
C4H8O Cyclobutanol -232.452894 -232.452893 -0.000001
CH3NHCH2COOH Sarcosine -323.730261 -323.730260 -0.000001
BN- boron nitride anion -78.963675 -78.963674 -0.000001
BN boron nitride -78.963675 -78.963674 -0.000001
BN+ boron nitride cation -78.963675 -78.963674 -0.000001
AlH3- aluminum trihydride anion -244.204660 -244.204659 -0.000001
AlH3 aluminum trihydride -244.204660 -244.204659 -0.000001
AlH3+ aluminum trihydride cation -244.204660 -244.204659 -0.000001
H2OCH3OH water methanol dimer -192.246478 -192.246477 -0.000001
Si2- silcon dimer anion -578.815312 -578.815311 -0.000001
Si2 Silicon diatomic -578.815312 -578.815311 -0.000001
Si2+ silcon dimer cation -578.815312 -578.815311 -0.000001
HCOOHH2O Formic acid water dimer -264.718539 -264.718538 -0.000001
C3H3+ cyclopropenyl cation -115.733847 -115.733846 -0.000001
Na2- sodium dimer anion -324.397992 -324.397991 -0.000001
Na2 Sodium diatomic -324.397992 -324.397991 -0.000001
Na2+ sodium dimer cation -324.397992 -324.397991 -0.000001
He- Helium atom anion -2.886001 -2.886000 -0.000001
He Helium atom -2.886001 -2.886000 -0.000001
He+ Helium atom cation -2.886001 -2.886000 -0.000001
He- Helium atom anion -2.886001 -2.886000 -0.000001
He Helium atom -2.886001 -2.886000 -0.000001
He+ Helium atom cation -2.886001 -2.886000 -0.000001
HPO HPO -417.148621 -417.148620 -0.000001
HPO+ HPO cation -417.148621 -417.148620 -0.000001
C5H10 2-Butene, 2-methyl- -196.543579 -196.543578 -0.000001
C5H8 1,3-Pentadiene, (E)- -195.333670 -195.333669 -0.000001
CH2CHO Vinyloxy radical -153.171535 -153.171534 -0.000001
B- Boron atom anion -24.662655 -24.662654 -0.000001
B Boron atom -24.662655 -24.662654 -0.000001
B+ Boron atom cation -24.662655 -24.662654 -0.000001
NH3 Ammonia -56.229128 -56.229129 0.000001
NH3+ ammonia cation -56.229128 -56.229129 0.000001
C2H4S Thiirane -476.793041 -476.793042 0.000001
C3H3N acrylonitrile -170.831551 -170.831552 0.000001
C3H3N+ acrylonitrile cation -170.831551 -170.831552 0.000001
HO2- Hydroperoxy anion -150.915450 -150.915451 0.000001
HO2 Hydroperoxy radical -150.915450 -150.915451 0.000001
HO2+ Hydroperoxy cation -150.915450 -150.915451 0.000001
C3O2 Carbon suboxide -264.332593 -264.332594 0.000001
C3O2+ Carbon suboxide cation -264.332593 -264.332594 0.000001
C3O2 Carbon suboxide -264.719971 -264.719972 0.000001
C3O2+ Carbon suboxide cation -264.719971 -264.719972 0.000001
SiH2- silicon dihydride anion -290.282319 -290.282320 0.000001
SiH2 silicon dihydride -290.282319 -290.282320 0.000001
SiH2+ silicon dihydride cation -290.282319 -290.282320 0.000001
NO2- Nitrogen dioxide anion -205.072205 -205.072206 0.000001
NO2 Nitrogen dioxide -205.072205 -205.072206 0.000001
NO2+ Nitrogen dioxide cation -205.072205 -205.072206 0.000001
C4H6OS Dihydro-3-(2H)-thiophenone -629.445682 -629.445683 0.000001
CH2CO Ketene -152.251902 -152.251903 0.000001
CH2CO+ Ketene cation -152.251902 -152.251903 0.000001
C4H6 1-Methylcyclopropene -155.944582 -155.944584 0.000001
C3H7OH 1-Propanol -194.347501 -194.347502 0.000001
NaH- sodium hydride anion -162.852569 -162.852571 0.000001
NaH sodium hydride -162.852569 -162.852571 0.000001
NaH+ sodium hydride cation -162.852569 -162.852571 0.000001
PO2- Phosphorus dioxide anion -491.372997 -491.372998 0.000001
PO2 Phosphorus dioxide -491.372997 -491.372998 0.000001
PO2+ Phosphorus dioxide cation -491.372997 -491.372998 0.000001
C2H4N4 2H-Tetrazole, 2-methyl- -297.574406 -297.574407 0.000001
Na- Sodium atom anion -162.279880 -162.279881 0.000001
Na Sodium atom -162.279880 -162.279881 0.000001
Na+ Sodium atom cation -162.279880 -162.279881 0.000001
Ti- Titanium atom anion -845.240491 -845.240492 0.000001
Ti Titanium atom -845.240491 -845.240492 0.000001
Ti+ Titanium atom cation -845.240491 -845.240492 0.000001
Ti- Titanium atom anion -845.240491 -845.240492 0.000001
Ti Titanium atom -845.240491 -845.240492 0.000001
Ti+ Titanium atom cation -845.240491 -845.240492 0.000001
BeN- Beryllium mononitride anion -69.341448 -69.341449 0.000001
BeN Beryllium mononitride -69.341448 -69.341449 0.000001
BeN+ Beryllium mononitride cation -69.341448 -69.341449 0.000001
CH2CO Ketene -152.610902 -152.610904 0.000001
CH2CO+ Ketene cation -152.610902 -152.610904 0.000001
H2OH2O water dimer -152.935995 -152.935996 0.000001
CH- methylidyne anion -38.081437 -38.081438 0.000001
CH Methylidyne -38.081437 -38.081438 0.000001
CH+ Methylidyne cation -38.081437 -38.081438 0.000001
NH2- amino anion -55.410215 -55.410216 0.000001
NH2 Amino radical -55.410215 -55.410216 0.000001
NH2+ Amino cation -55.410215 -55.410216 0.000001
MgH- magnesium monohydride anion -200.370905 -200.370906 0.000001
MgH magnesium monohydride -200.370905 -200.370906 0.000001
MgH+ magnesium monohydride cation -200.370905 -200.370906 0.000001
H2O- water anion -76.434048 -76.434049 0.000001
H2O Water -76.434048 -76.434049 0.000001
H2O+ water cation -76.434048 -76.434049 0.000001
CH2CHSCHCH2 Divinyl sulfide -554.169725 -554.169726 0.000001
D2O Deuterium oxide -76.434048 -76.434049 0.000001
HDO Water-d1 -76.434048 -76.434049 0.000001
PS- phosphorus monosulfide anion -739.517318 -739.517319 0.000001
PS phosphorus sulfide -739.517318 -739.517319 0.000001
PS+ phosphorus monosulfide cation -739.517318 -739.517319 0.000001
NH2- amino anion -55.885447 -55.885448 0.000001
NH2 Amino radical -55.885447 -55.885448 0.000001
NH2+ Amino cation -55.885447 -55.885448 0.000001
ND2 Amidogen-d2 -55.885447 -55.885448 0.000001
H2O2 Hydrogen peroxide -151.558408 -151.558409 0.000001
H2O2+ Hydrogen peroxide cation -151.558408 -151.558409 0.000001
C2H4F2 1,2-difluoroethane -278.278594 -278.278595 0.000001
H2O- water anion -76.464155 -76.464156 0.000001
H2O Water -76.464155 -76.464156 0.000001
H2O+ water cation -76.464155 -76.464156 0.000001
Si- Silicon atom anion -289.396757 -289.396758 0.000001
Si Silicon atom -289.396757 -289.396758 0.000001
Si+ Silicon atom cation -289.396757 -289.396758 0.000001
H2OHCOOH Water formic acid dimer 2 -264.690943 -264.690945 0.000001
H2CS Thioformaldehyde -437.468494 -437.468495 0.000001
C2H6O2 1,2-Ethanediol -230.235714 -230.235715 0.000001
C2H4O Ethylene oxide -153.800832 -153.800833 0.000001
C2H4- Ethylene anion -78.587457 -78.587459 0.000001
C2H4 Ethylene -78.587457 -78.587459 0.000001
C2H4+ Ethylene cation -78.587457 -78.587459 0.000001
NaLi- lithium sodium anion -169.800450 -169.800451 0.000001
NaLi lithium sodium -169.800450 -169.800451 0.000001
NaLi+ lithium sodium cation -169.800450 -169.800451 0.000001
He2+ helium dimer cation -5.014544 -5.014546 0.000001
H2OCH3OH water methanol dimer -191.071860 -191.071861 0.000001
CH2CCHCH3 1,2-Butadiene -155.992804 -155.992805 0.000001
SiS- silicon monosulfide anion -687.695073 -687.695074 0.000001
SiS silicon monosulfide -687.695073 -687.695074 0.000001
SiS+ silicon monosulfide cation -687.695073 -687.695074 0.000001
C5H8 Cyclobutane, methylene- -195.295189 -195.295190 0.000002
C2H5OO ethylperoxy radical -229.535017 -229.535019 0.000002
C3H4 cyclopropene -116.619040 -116.619041 0.000002
C3H7 Isopropyl radical -118.478154 -118.478156 0.000002
C5H8 Spiropentane -195.271522 -195.271523 0.000002
C6H12 2-Hexene, (E)- -235.854339 -235.854341 0.000002
C2H4O Ethylene oxide -153.786260 -153.786262 0.000002
C2H4- Ethylene anion -78.476292 -78.476294 0.000002
C2H4 Ethylene -78.476292 -78.476294 0.000002
C2H4+ Ethylene cation -78.476292 -78.476294 0.000002
C4H8O Cyclobutanol -232.425002 -232.425003 0.000002
H2OH2O water dimer -152.939678 -152.939680 0.000002
H2CO- formaldehyde anion -114.500471 -114.500473 0.000002
H2CO Formaldehyde -114.500471 -114.500473 0.000002
H2CO+ formaldehyde cation -114.500471 -114.500473 0.000002
C3H7 Isopropyl radical -118.493539 -118.493540 0.000002
LiN Lithium Nitride -62.068544 -62.068546 0.000002
LiN+ Lithium Nitride cation -62.068544 -62.068546 0.000002
CH3CHO Acetaldehyde -153.830118 -153.830120 0.000002
C3H3- Propargyl anion -116.007373 -116.007375 0.000002
C3H3 Propargyl radical -116.007373 -116.007375 0.000002
C3H3+ Propargyl cation -116.007373 -116.007375 0.000002
H2NCH2COOH Glycine -284.423454 -284.423456 0.000002
CH2CHNH2 aminoethene -133.942723 -133.942725 0.000002
AlH- aluminum monohydride anion -242.681107 -242.681108 0.000002
AlH aluminum monohydride -242.681107 -242.681108 0.000002
AlH+ aluminum monohydride cation -242.681107 -242.681108 0.000002
AsO Arsenic monoxide -2308.920435 -2308.920436 0.000002
PS- phosphorus monosulfide anion -739.218675 -739.218677 0.000002
PS phosphorus sulfide -739.218675 -739.218677 0.000002
PS+ phosphorus monosulfide cation -739.218675 -739.218677 0.000002
Al- Aluminum atom anion -242.368234 -242.368235 0.000002
Al Aluminum atom -242.368234 -242.368235 0.000002
Al+ Aluminum atom cation -242.368234 -242.368235 0.000002
SiO2 silicon dioxide -439.928113 -439.928115 0.000002
Al- Aluminum atom anion -242.389770 -242.389772 0.000002
Al Aluminum atom -242.389770 -242.389772 0.000002
Al+ Aluminum atom cation -242.389770 -242.389772 0.000002
C2H6N2O2 Dimethylnitroamine -339.656556 -339.656557 0.000002
C2H2O2 Ethanedial -227.835370 -227.835372 0.000002
C2H2O2+ Ethanedial cation -227.835370 -227.835372 0.000002
Al- Aluminum atom anion -242.368234 -242.368236 0.000002
Al Aluminum atom -242.368234 -242.368236 0.000002
Al+ Aluminum atom cation -242.368234 -242.368236 0.000002
C5H4O2 furfural -343.348028 -343.348030 0.000002
CH3NH3+ protonated methylamine -96.214865 -96.214867 0.000002
CH2NN diazomethane -148.739257 -148.739259 0.000002
CH3CH(NH2)CH3 2-Propanamine -174.487272 -174.487274 0.000002
P- Phosphorus atom anion -341.281730 -341.281732 0.000002
P Phosphorus atom -341.281730 -341.281732 0.000002
P+ Phosphorus atom cation -341.281730 -341.281732 0.000002
CH3O- methoxy anion -115.072089 -115.072091 0.000002
CH3O Methoxy radical -115.072089 -115.072091 0.000002
HSe- selenium monohydride anion -2399.991740 -2399.991742 0.000002
HSe Selenium monohydride -2399.991740 -2399.991742 0.000002
HSe+ selenium monohydride cation -2399.991740 -2399.991742 0.000002
P- Phosphorus atom anion -341.281730 -341.281732 0.000002
P Phosphorus atom -341.281730 -341.281732 0.000002
P+ Phosphorus atom cation -341.281730 -341.281732 0.000002
H2O- water anion -76.466197 -76.466198 0.000002
H2O Water -76.466197 -76.466198 0.000002
H2O+ water cation -76.466197 -76.466198 0.000002
Al- Aluminum atom anion -242.365763 -242.365764 0.000002
Al Aluminum atom -242.365763 -242.365764 0.000002
Al+ Aluminum atom cation -242.365763 -242.365764 0.000002
C3H5Cl 1-chloro-1-propene(E) -577.505264 -577.505266 0.000002
Mg- Magnesium atom anion -200.097750 -200.097752 0.000002
Mg Magnesium atom -200.097750 -200.097752 0.000002
Mg+ Magnesium atom cation -200.097750 -200.097752 0.000002
C4H2N2 Fumaronitrile -263.069799 -263.069801 0.000002
FNO Nitrosyl fluoride -229.723412 -229.723414 0.000002
C6H8 trans-2,3,4-Hexatriene -233.369902 -233.369904 0.000002
CH2CO Ketene -152.598471 -152.598473 0.000002
CH2CO+ Ketene cation -152.598471 -152.598473 0.000002
C2H5 Ethyl radical -79.157866 -79.157868 0.000002
C2H5+ Ethyl cation -79.157866 -79.157868 0.000002
CH2OH Hydroxymethyl radical -114.782500 -114.782502 0.000002
CH2OH+ hydroxymethyl cation -114.782500 -114.782502 0.000002
N3- azide anion -164.213093 -164.213095 0.000002
N3 azide radical -164.213093 -164.213095 0.000002
AlS- aluminum monosulfide anion -640.618558 -640.618560 0.000002
AlS Aluminum sulfide -640.618558 -640.618560 0.000002
AlS+ aluminum monosulfide cation -640.618558 -640.618560 0.000002
C2H5 Ethyl radical -79.170103 -79.170105 0.000002
C2H5+ Ethyl cation -79.170103 -79.170105 0.000002
HBHHBH Diborane(4) C2V -52.035892 -52.035894 0.000002
C3H3NO Oxazole -246.069878 -246.069880 0.000002
C2H2O2 Ethanedial -227.818629 -227.818631 0.000002
C2H2O2+ Ethanedial cation -227.818629 -227.818631 0.000002
CH3CH2CH2CN Butanenitrile -211.382907 -211.382909 0.000002
BS- boron monosulfide anion -422.550990 -422.550992 0.000002
BS boron sulfide -422.550990 -422.550992 0.000002
BS+ boron monosulfide cation -422.550990 -422.550992 0.000002
HOCO Hydrocarboxyl radical -189.089751 -189.089753 0.000002
HOCO+ Hydrocarboxyl cation -189.089751 -189.089753 0.000002
C5H12S 1-Butanethiol, 2-methyl- -595.952071 -595.952073 0.000002
Ca- Calcium atom anion -674.236815 -674.236817 0.000002
Ca Calcium atom -674.236815 -674.236817 0.000002
Ca+ Calcium atom cation -674.236815 -674.236817 0.000002
HCS- Thioformyl anion -436.804175 -436.804177 0.000002
HCS Thioformyl radical -436.804175 -436.804177 0.000002
HCS+ Thioformyl cation -436.804175 -436.804177 0.000002
P2- phosphorus dimer anion -682.688943 -682.688945 0.000002
P2 Phosphorus diatomic -682.688943 -682.688945 0.000002
P2+ phosphorus dimer cation -682.688943 -682.688945 0.000002
C2Cl2 dichloroacetylene -996.144299 -996.144301 0.000002
C2Cl2+ dichloroacetylene cation -996.144299 -996.144301 0.000002
CH3CO- Acetyl anion -153.179833 -153.179835 0.000002
CH3CO Acetyl radical -153.179833 -153.179835 0.000002
CH3CO+ acetyl cation -153.179833 -153.179835 0.000002
CH3CH2CH2CN Butanenitrile -211.401020 -211.401022 0.000002
MgH- magnesium monohydride anion -200.632219 -200.632221 0.000002
MgH magnesium monohydride -200.632219 -200.632221 0.000002
MgH+ magnesium monohydride cation -200.632219 -200.632221 0.000002
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.019008 -999.019010 0.000002
C5H6 3-Penten-1-yne, (Z)- -194.054815 -194.054817 0.000002
CH3SSCH3 Disulfide, dimethyl -876.207515 -876.207517 0.000002
CCl- carbon monochloride anion -497.799870 -497.799872 0.000002
CCl carbon monochloride -497.799870 -497.799872 0.000002
CCl+ carbon monochloride cation -497.799870 -497.799872 0.000002
CH3NHCH3 Dimethylamine -135.181276 -135.181278 0.000002
NaOH sodium hydroxide -238.110188 -238.110190 0.000002
C4H6 Cyclobutene -155.973262 -155.973265 0.000002
Al2- aluminum dimer anion -484.569763 -484.569765 0.000002
Al2 Aluminum diatomic -484.569763 -484.569765 0.000002
Al2+ aluminum dimer cation -484.569763 -484.569765 0.000002
NF- nitrogen monofluorine anion -153.981901 -153.981903 0.000002
NF nitrogen fluoride -153.981901 -153.981903 0.000002
NF+ nitrogen monofluoirde cation -153.981901 -153.981903 0.000002
O2- oxygen diatomic anion -150.320038 -150.320040 0.000002
O2 Oxygen diatomic -150.320038 -150.320040 0.000002
O2+ diatomic oxygen cation -150.320038 -150.320040 0.000002
LiN Lithium Nitride -62.138114 -62.138116 0.000002
LiN+ Lithium Nitride cation -62.138114 -62.138116 0.000002
C4H7NO Ethoxyacetonitrile -286.577621 -286.577623 0.000002
SiH2- silicon dihydride anion -290.581143 -290.581145 0.000002
SiH2 silicon dihydride -290.581143 -290.581145 0.000002
SiH2+ silicon dihydride cation -290.581143 -290.581145 0.000002
H2OH2O water dimer -152.877718 -152.877720 0.000002
C4H6 Methylenecyclopropane -155.962637 -155.962639 0.000002
CF2O Carbonic difluoride -313.007949 -313.007951 0.000002
C6H13N cyclohexanamine -291.224293 -291.224295 0.000002
C5H8 1,3-Pentadiene, (E)- -195.312245 -195.312248 0.000002
C4H6O Cyclobutanone -231.228583 -231.228586 0.000002
CH3CO- Acetyl anion -153.194505 -153.194508 0.000002
CH3CO Acetyl radical -153.194505 -153.194508 0.000002
CH3CO+ acetyl cation -153.194505 -153.194508 0.000002
Na- Sodium atom anion -162.097724 -162.097726 0.000002
Na Sodium atom -162.097724 -162.097726 0.000002
Na+ Sodium atom cation -162.097724 -162.097726 0.000002
Na- Sodium atom anion -162.097714 -162.097716 0.000002
Na Sodium atom -162.097714 -162.097716 0.000002
Na+ Sodium atom cation -162.097714 -162.097716 0.000002
CH2CHCH2CH2Cl 1-Butene, 4-chloro- -616.815871 -616.815874 0.000002
NH2CN cyanamide -148.780062 -148.780065 0.000002
C6H8 1,3,5-Hexatriene, (E)- -233.423262 -233.423265 0.000002
C4H4O2 2-Oxetanone, 4-methylene- -305.237819 -305.237821 0.000002
C3H7NO Propanamide -248.526849 -248.526851 0.000002
NH3NH3 Ammonia Dimer -113.179172 -113.179174 0.000003
PH- phosphorus monohydride anion -341.503706 -341.503708 0.000003
PH phosphorus monohydride -341.503706 -341.503708 0.000003
PH+ phosphorus monohydride cation -341.503706 -341.503708 0.000003
H2OHCOOH Water formic acid dimer 2 -266.217721 -266.217723 0.000003
C6H14 Butane, 2,3-dimethyl- -237.082503 -237.082506 0.000003
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.029096 -999.029099 0.000003
NH3NH3 Ammonia Dimer -113.181671 -113.181674 0.000003
H2OCH3OCH3 water dimethylether dimer -231.445126 -231.445129 0.000003
ClO- chlorine monoxide anion -535.292266 -535.292268 0.000003
ClO Monochlorine monoxide -535.292266 -535.292268 0.000003
ClO+ chlorine monoxide cation -535.292266 -535.292268 0.000003
C3H6N2 3-Aminopropionitrile -227.408821 -227.408824 0.000003
C6H12 Cyclobutane, ethyl- -235.842095 -235.842098 0.000003
AlS- aluminum monosulfide anion -640.709402 -640.709405 0.000003
AlS Aluminum sulfide -640.709402 -640.709405 0.000003
AlS+ aluminum monosulfide cation -640.709402 -640.709405 0.000003
C5H11N Piperidine -251.930168 -251.930171 0.000003
Al2- aluminum dimer anion -484.770697 -484.770700 0.000003
Al2 Aluminum diatomic -484.770697 -484.770700 0.000003
Al2+ aluminum dimer cation -484.770697 -484.770700 0.000003
H2OHCOOH Water formic acid dimer 2 -266.312843 -266.312845 0.000003
C4H2N2 Fumaronitrile -263.084428 -263.084431 0.000003
ClOO chloroperoxy radical -610.033516 -610.033518 0.000003
ClOO+ chloroperoxy cation -610.033516 -610.033518 0.000003
PH2- Phosphino anion -342.504213 -342.504216 0.000003
PH2 Phosphino radical -342.504213 -342.504216 0.000003
PH2+ Phosphino cation -342.504213 -342.504216 0.000003
C4H4O Furan -230.020582 -230.020585 0.000003
CH2NH2+ methyleneamine cation -94.974105 -94.974108 0.000003
C2O4-2 oxalate anion -377.014658 -377.014661 0.000003
PH- phosphorus monohydride anion -341.877168 -341.877171 0.000003
PH phosphorus monohydride -341.877168 -341.877171 0.000003
PH+ phosphorus monohydride cation -341.877168 -341.877171 0.000003
C5H8 Spiropentane -195.290684 -195.290687 0.000003
HO2- Hydroperoxy anion -150.899154 -150.899157 0.000003
HO2 Hydroperoxy radical -150.899154 -150.899157 0.000003
HO2+ Hydroperoxy cation -150.899154 -150.899157 0.000003
SiH3Cl chlorosilane -751.531058 -751.531061 0.000003
PH2- Phosphino anion -342.509406 -342.509409 0.000003
PH2 Phosphino radical -342.509406 -342.509409 0.000003
PH2+ Phosphino cation -342.509406 -342.509409 0.000003
HCOOC2H5 Ethyl formate -268.382095 -268.382098 0.000003
CH2NN diazomethane -148.750393 -148.750396 0.000003
C4H10O 1-Propanol, 2-methyl- -233.662764 -233.662767 0.000003
H2OCH3OCH3 water dimethylether dimer -230.172249 -230.172252 0.000003
C6H12 2-Pentene, 3-methyl-, (E)- -235.855791 -235.855794 0.000003
H2CCCCH2 Butatriene -154.730753 -154.730756 0.000003
C3H4O Cyclopropanone -191.880739 -191.880742 0.000003
HO2- Hydroperoxy anion -150.886985 -150.886988 0.000003
HO2 Hydroperoxy radical -150.886985 -150.886988 0.000003
HO2+ Hydroperoxy cation -150.886985 -150.886988 0.000003
BeCl- beryllium monochloride anion -474.971942 -474.971945 0.000003
BeCl beryllium chloride -474.971942 -474.971945 0.000003
BeCl+ beryllium monochloride cation -474.971942 -474.971945 0.000003
PH2- Phosphino anion -342.528607 -342.528610 0.000003
PH2 Phosphino radical -342.528607 -342.528610 0.000003
PH2+ Phosphino cation -342.528607 -342.528610 0.000003
CH2CHCHCH2 1,3-Butadiene -156.010641 -156.010645 0.000003
NH2CN cyanamide -148.797037 -148.797040 0.000003
C4H5N Pyrrole -210.165891 -210.165894 0.000003
CH3CH2CH2CH3 Butane -158.456714 -158.456717 0.000003
CHClCCl2 Trichloroethylene -1457.365681 -1457.365684 0.000003
CH3CHNH ethanimine -133.952468 -133.952472 0.000003
AlF2Cl Aluminum chloride difluoride -902.550023 -902.550026 0.000003
Be- Beryllium atom anion -14.583838 -14.583841 0.000003
Be Beryllium atom -14.583838 -14.583841 0.000003
Be+ Beryllium atom cation -14.583838 -14.583841 0.000003
Be- Beryllium atom anion -14.583838 -14.583841 0.000003
Be Beryllium atom -14.583838 -14.583841 0.000003
Be+ Beryllium atom cation -14.583838 -14.583841 0.000003
PH- phosphorus monohydride anion -341.823868 -341.823872 0.000003
PH phosphorus monohydride -341.823868 -341.823872 0.000003
PH+ phosphorus monohydride cation -341.823868 -341.823872 0.000003
B- Boron atom anion -24.659794 -24.659797 0.000003
B Boron atom -24.659794 -24.659797 0.000003
B+ Boron atom cation -24.659794 -24.659797 0.000003
H2OH2O water dimer -152.830332 -152.830336 0.000003
C4H10O Propane, 2-methoxy- -233.657606 -233.657610 0.000003
C3H4O2S 2H-Thiete-1,1-dioxide -665.239747 -665.239751 0.000003
AlO- Aluminum monoxide anion -317.611324 -317.611327 0.000003
AlO Aluminum monoxide -317.611324 -317.611327 0.000003
AlO+ aluminum monoxide cation -317.611324 -317.611327 0.000003
Ti- Titanium atom anion -849.291228 -849.291231 0.000004
Ti Titanium atom -849.291228 -849.291231 0.000004
Ti+ Titanium atom cation -849.291228 -849.291231 0.000004
C6H10 1,5-Hexadiene -234.635836 -234.635839 0.000004
Ti- Titanium atom anion -849.291801 -849.291805 0.000004
Ti Titanium atom -849.291801 -849.291805 0.000004
Ti+ Titanium atom cation -849.291801 -849.291805 0.000004
C6H8 cis-2,3,4-Hexatriene -233.369900 -233.369904 0.000004
CH2CCH2 allene -116.657673 -116.657676 0.000004
NH3NH3 Ammonia Dimer -113.103295 -113.103299 0.000004
CH3NHCH3 Dimethylamine -135.162852 -135.162855 0.000004
HNO2 Nitrous acid -205.715013 -205.715017 0.000004
HNO2+ nitrous acid cation -205.715013 -205.715017 0.000004
S- Sulfur atom anion -10.038445 -10.038448 0.000004
S Sulfur atom -10.038445 -10.038448 0.000004
S+ Sulfur atom cation -10.038445 -10.038448 0.000004
AlH2- aluminum dihydride anion -243.566409 -243.566413 0.000004
AlH2 aluminum dihydride -243.566409 -243.566413 0.000004
AlH2+ aluminum dihydride cation -243.566409 -243.566413 0.000004
C2H6N2O Urea, methyl- -264.567956 -264.567960 0.000004
PH2- Phosphino anion -342.140088 -342.140091 0.000004
PH2 Phosphino radical -342.140088 -342.140091 0.000004
PH2+ Phosphino cation -342.140088 -342.140091 0.000004
CF3CHO trifluoroacetaldehyde -451.534004 -451.534008 0.000004
CH3NO3 Methyl nitrate -320.189438 -320.189442 0.000004
C- Carbon atom anion -37.642693 -37.642696 0.000004
C Carbon atom -37.642693 -37.642696 0.000004
C+ Carbon atom cation -37.642693 -37.642696 0.000004
C- Carbon atom anion -37.642693 -37.642696 0.000004
C Carbon atom -37.642693 -37.642696 0.000004
C+ Carbon atom cation -37.642693 -37.642696 0.000004
B- Boron atom anion -24.652810 -24.652814 0.000004
B Boron atom -24.652810 -24.652814 0.000004
B+ Boron atom cation -24.652810 -24.652814 0.000004
CH2NH Methanimine -94.627215 -94.627219 0.000004
HOF Hypofluorous acid -175.546294 -175.546298 0.000004
CH3CH(CH3)CH3 Isobutane -158.458805 -158.458809 0.000004
Ti- Titanium atom anion -849.290107 -849.290110 0.000004
Ti Titanium atom -849.290107 -849.290110 0.000004
Ti+ Titanium atom cation -849.290107 -849.290110 0.000004
CH2CCHCH3 1,2-Butadiene -155.975817 -155.975821 0.000004
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- -556.640081 -556.640084 0.000004
CH3SOCH3 Dimethyl sulfoxide -553.186932 -553.186936 0.000004
CH3NO3 Methyl nitrate -320.209291 -320.209295 0.000004
C6H12 2-Pentene, 3-methyl-, (Z)- -235.855600 -235.855604 0.000004
CH2NH Methanimine -94.640609 -94.640613 0.000004
H2Cl+ dihydrogen monochloride cation -461.008716 -461.008720 0.000004
C5H12S Butane, 1-(methylthio)- -595.955682 -595.955686 0.000004
CH3CHF2 Ethane, 1,1-difluoro- -278.301606 -278.301610 0.000004
Mg2- magnesium dimer anion -400.156059 -400.156064 0.000004
Mg2 Magnesium diatomic -400.156059 -400.156064 0.000004
Mg2+ magnesium dimer cation -400.156059 -400.156064 0.000004
PH- phosphorus monohydride anion -341.894433 -341.894437 0.000004
PH phosphorus monohydride -341.894433 -341.894437 0.000004
PH+ phosphorus monohydride cation -341.894433 -341.894437 0.000004
C3H4N2 1H-Imidazole -226.214554 -226.214559 0.000004
Al(CH3)3 trimethyl aluminum -362.189256 -362.189260 0.000004
BrNO Nitrosyl bromide -2701.599484 -2701.599489 0.000004
SiS- silicon monosulfide anion -687.707621 -687.707625 0.000004
SiS silicon monosulfide -687.707621 -687.707625 0.000004
SiS+ silicon monosulfide cation -687.707621 -687.707625 0.000004
C4H9ClO 1-Chloro-2-ethoxyethane -693.257136 -693.257140 0.000004
NH2F monofluoroamine -155.704003 -155.704007 0.000004
F- Fluorine atom anion -99.715531 -99.715535 0.000004
F Fluorine atom -99.715531 -99.715535 0.000004
F+ Fluorine atom cation -99.715531 -99.715535 0.000004
C2H6 Ethane -79.830416 -79.830421 0.000004
F2O Difluorine monoxide -274.672827 -274.672831 0.000004
C5H7N 1H-Pyrrole, 1-methyl- -249.477847 -249.477851 0.000004
HCO2- formate anion -189.177563 -189.177567 0.000005
AlH4- Aluminum tetrahydride anion -244.851069 -244.851074 0.000005
C6H8 1,3,5-Hexatriene, (E)- -233.398548 -233.398552 0.000005
C5H6 1,3-Cyclopentadiene -194.101058 -194.101062 0.000005
C2H3OC2H5 Ethene, ethoxy- -232.429908 -232.429912 0.000005
N- Nitrogen atom anion -54.295458 -54.295463 0.000005
N Nitrogen atom -54.295458 -54.295463 0.000005
N+ Nitrogen atom cation -54.295458 -54.295463 0.000005
N- Nitrogen atom anion -54.295458 -54.295463 0.000005
N Nitrogen atom -54.295458 -54.295463 0.000005
N+ Nitrogen atom cation -54.295458 -54.295463 0.000005
PCl5 Phosphorus pentachloride -2642.356834 -2642.356839 0.000005
CCl2- dichloromethylene anion -958.388918 -958.388922 0.000005
CCl2 dichloromethylene -958.388918 -958.388922 0.000005
CCl2+ dichloromethylene cation -958.388918 -958.388922 0.000005
H2OHCOOH Water formic acid dimer 2 -266.318288 -266.318292 0.000005
B- Boron atom anion -24.654349 -24.654354 0.000005
B Boron atom -24.654349 -24.654354 0.000005
B+ Boron atom cation -24.654349 -24.654354 0.000005
B- Boron atom anion -24.654349 -24.654354 0.000005
B Boron atom -24.654349 -24.654354 0.000005
B+ Boron atom cation -24.654349 -24.654354 0.000005
C3H4O2 β–Propiolactone -267.153532 -267.153537 0.000005
H2ONH3 Water Ammonia Dimer -133.064761 -133.064766 0.000005
B- Boron atom anion -24.663753 -24.663758 0.000005
B Boron atom -24.663753 -24.663758 0.000005
B+ Boron atom cation -24.663753 -24.663758 0.000005
C5H11N Piperidine -251.904372 -251.904377 0.000005
CCl- carbon monochloride anion -498.131258 -498.131263 0.000005
CCl carbon monochloride -498.131258 -498.131263 0.000005
CCl+ carbon monochloride cation -498.131258 -498.131263 0.000005
CHClCCl2 Trichloroethylene -1457.373174 -1457.373179 0.000005
ArH+ Argon hydride cation -527.654546 -527.654551 0.000005
C3H4O2 2-Propenoic acid -267.159834 -267.159839 0.000005
SiH4 Silane -291.883686 -291.883691 0.000005
SiH4+ Silane cation -291.883686 -291.883691 0.000005
B- Boron atom anion -24.661864 -24.661869 0.000005
B Boron atom -24.661864 -24.661869 0.000005
B+ Boron atom cation -24.661864 -24.661869 0.000005
HCl- hydrogen chloride anion -460.762791 -460.762796 0.000005
HCl Hydrogen chloride -460.762791 -460.762796 0.000005
HCl+ hydrogen chloride cation -460.762791 -460.762796 0.000005
CH3CHCHCH3 2-Butene, (E)- -157.226906 -157.226911 0.000005
HNO3 Nitric acid -280.900611 -280.900616 0.000005
SiH3- silyl anion -290.933142 -290.933147 0.000005
SiH3 silyl -290.933142 -290.933147 0.000005
SiH3+ silyl cation -290.933142 -290.933147 0.000005
B- Boron atom anion -24.660867 -24.660872 0.000005
B Boron atom -24.660867 -24.660872 0.000005
B+ Boron atom cation -24.660867 -24.660872 0.000005
AlCl- aluminum monochloride anion -702.345046 -702.345051 0.000005
AlCl Aluminum monochloride -702.345046 -702.345051 0.000005
AlCl+ aluminum monochloride cation -702.345046 -702.345051 0.000005
CH3COCH3 Acetone -193.174501 -193.174506 0.000005
NH3NH3 Ammonia Dimer -113.139736 -113.139741 0.000005
NaH- sodium hydride anion -162.863828 -162.863833 0.000005
NaH sodium hydride -162.863828 -162.863833 0.000005
NaH+ sodium hydride cation -162.863828 -162.863833 0.000005
AlCl3 Aluminum trichloride -1623.233267 -1623.233272 0.000005
B2Cl4 Diboron tetrachloride -1890.645779 -1890.645784 0.000005
HNO2 Nitrous acid -205.695212 -205.695217 0.000005
HNO2+ nitrous acid cation -205.695212 -205.695217 0.000005
CH3CHNOH Acetaldoxime -209.131389 -209.131395 0.000005
C6H8 1,4-Cyclohexadiene -233.418497 -233.418503 0.000005
O3- Ozone anion -225.406454 -225.406459 0.000005
O3 Ozone -225.406454 -225.406459 0.000005
O3+ Ozone cation -225.406454 -225.406459 0.000005
P2H4 H2PPH2 -685.095070 -685.095075 0.000005
CH3CHCHCH3 2-Butene, (Z)- -157.224769 -157.224774 0.000005
C5H10O 2H-Pyran, tetrahydro- -271.770635 -271.770641 0.000005
O- Oxygen atom anion -75.081718 -75.081723 0.000005
O Oxygen atom -75.081718 -75.081723 0.000005
O+ Oxygen atom cation -75.081718 -75.081723 0.000005
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile -248.193710 -248.193715 0.000005
CH2CHCH2CH3 1-Butene -157.221067 -157.221072 0.000006
Ca- Calcium atom anion -677.539228 -677.539234 0.000006
Ca Calcium atom -677.539228 -677.539234 0.000006
Ca+ Calcium atom cation -677.539228 -677.539234 0.000006
CH2C(CH3)CH3 1-Propene, 2-methyl- -157.227286 -157.227291 0.000006
C6H8 Bicyclo[2.2.0]hex-1(4)-ene -233.316593 -233.316598 0.000006
Ti- Titanium atom anion -849.301171 -849.301177 0.000006
Ti Titanium atom -849.301171 -849.301177 0.000006
Ti+ Titanium atom cation -849.301171 -849.301177 0.000006
C6H8 1,3-Cyclohexadiene -233.418911 -233.418916 0.000006
C5H4O2 4-Cyclopentene-1,3-dione -343.359696 -343.359701 0.000006
CCl2- dichloromethylene anion -958.383064 -958.383070 0.000006
CCl2 dichloromethylene -958.383064 -958.383070 0.000006
CCl2+ dichloromethylene cation -958.383064 -958.383070 0.000006
Si2- silcon dimer anion -578.549630 -578.549635 0.000006
Si2 Silicon diatomic -578.549630 -578.549635 0.000006
Si2+ silcon dimer cation -578.549630 -578.549635 0.000006
LiO- lithium oxide anion -82.681264 -82.681270 0.000006
LiO lithium oxide -82.681264 -82.681270 0.000006
LiO+ lithium oxide cation -82.681264 -82.681270 0.000006
NO2- Nitrogen dioxide anion -205.120386 -205.120392 0.000006
NO2 Nitrogen dioxide -205.120386 -205.120392 0.000006
NO2+ Nitrogen dioxide cation -205.120386 -205.120392 0.000006
B2Cl4 Diboron tetrachloride -1890.651834 -1890.651840 0.000006
P4 Phosphorus tetramer -1365.441822 -1365.441828 0.000006
SiP- Silicon monophosphide anion -630.435880 -630.435886 0.000006
SiP Silicon monophosphide -630.435880 -630.435886 0.000006
SiP+ Silicon monophosphide cation -630.435880 -630.435886 0.000006
C3H10N2 1,2-Diaminopropane -229.827654 -229.827660 0.000006
O- Oxygen atom anion -75.091857 -75.091863 0.000006
O Oxygen atom -75.091857 -75.091863 0.000006
O+ Oxygen atom cation -75.091857 -75.091863 0.000006
C5H7N (E)-3-Pentenenitrile -249.463131 -249.463137 0.000006
CH2F2 Methane, difluoro- -238.973195 -238.973201 0.000006
C6H12 Pentane, 3-methylene- -235.851814 -235.851821 0.000006
C3H4O2 β–Propiolactone -267.171911 -267.171917 0.000006
SiP- Silicon monophosphide anion -630.398746 -630.398752 0.000006
SiP Silicon monophosphide -630.398746 -630.398752 0.000006
SiP+ Silicon monophosphide cation -630.398746 -630.398752 0.000006
C6H10 2,4-Hexadiene, (E,E)- -234.632026 -234.632032 0.000006
BF3- Borane, trifluoro- anion -324.429033 -324.429039 0.000006
BF3 Borane, trifluoro- -324.429033 -324.429039 0.000006
BF3+ boron trifluoride cation -324.429033 -324.429039 0.000006
CO2- Carbon dioxide anion -188.531443 -188.531449 0.000006
CO2 Carbon dioxide -188.531443 -188.531449 0.000006
CO2+ Carbon dioxide cation -188.531443 -188.531449 0.000006
C6H10 1-Hexyne -234.594718 -234.594724 0.000006
C4H5N Cyclopropanecarbonitrile -210.137583 -210.137590 0.000006
C3H3NO Isoxazole -246.034708 -246.034715 0.000006
Ca- Calcium atom anion -677.537161 -677.537167 0.000006
Ca Calcium atom -677.537161 -677.537167 0.000006
Ca+ Calcium atom cation -677.537161 -677.537167 0.000006
Ca- Calcium atom anion -677.537091 -677.537097 0.000006
Ca Calcium atom -677.537091 -677.537097 0.000006
Ca+ Calcium atom cation -677.537091 -677.537097 0.000006
Ca- Calcium atom anion -677.536235 -677.536242 0.000006
Ca Calcium atom -677.536235 -677.536242 0.000006
Ca+ Calcium atom cation -677.536235 -677.536242 0.000006
SiCl4 Silane, tetrachloro- -2130.472833 -2130.472840 0.000006
Ca- Calcium atom anion -677.528052 -677.528059 0.000006
Ca Calcium atom -677.528052 -677.528059 0.000006
Ca+ Calcium atom cation -677.528052 -677.528059 0.000006
Ca- Calcium atom anion -677.311060 -677.311066 0.000006
Ca Calcium atom -677.311060 -677.311066 0.000006
Ca+ Calcium atom cation -677.311060 -677.311066 0.000006
BrCl- bromine chloride anion -3031.473536 -3031.473542 0.000006
BrCl Bromine monochloride -3031.473536 -3031.473542 0.000006
BrCl+ bromine chloride cation -3031.473536 -3031.473542 0.000006
C7H16 3-methylhexane -276.396804 -276.396810 0.000007
S- Sulfur atom anion -398.132075 -398.132082 0.000007
S Sulfur atom -398.132075 -398.132082 0.000007
S+ Sulfur atom cation -398.132075 -398.132082 0.000007
CH2C(CH3)CH3 1-Propene, 2-methyl- -157.245448 -157.245455 0.000007
Se2- selenium dimer anion -4798.726842 -4798.726849 0.000007
Se2 Selenium diatomic -4798.726842 -4798.726849 0.000007
Se2+ selenium dimer cation -4798.726842 -4798.726849 0.000007
C3H3NO Isoxazole -246.050384 -246.050391 0.000007
CF- carbon monofluoride anion -137.693435 -137.693442 0.000007
CF Fluoromethylidyne -137.693435 -137.693442 0.000007
CF+ carbon monofluoride cation -137.693435 -137.693442 0.000007
C5H10 2-Pentene, (E)- -196.539437 -196.539444 0.000007
NH2COOC2H5 Urethane -323.744806 -323.744813 0.000007
CF2- Difluoromethylene anion -237.606542 -237.606550 0.000007
CF2 Difluoromethylene -237.606542 -237.606550 0.000007
CF2+ Difluoromethylene cation -237.606542 -237.606550 0.000007
C4H6S Thiophene, 2,3-dihydro- -554.204194 -554.204201 0.000007
C4H6S Thiophene, 2,3-dihydro- -554.220010 -554.220018 0.000007
HClO3 Chloric Acid -686.177421 -686.177428 0.000007
N(CH3)2CONH2 Urea, N,N-dimethyl- -303.877376 -303.877383 0.000007
CH3SOCH3 Dimethyl sulfoxide -553.208403 -553.208410 0.000007
N2O3 Dinitrogen trioxide -334.993809 -334.993816 0.000007
CH3OCH3 Dimethyl ether -155.025044 -155.025051 0.000007
C2H5NO3 Nitric acid, ethyl ester -359.508714 -359.508722 0.000007
BHF2 Difluoroborane -225.245303 -225.245310 0.000007
O- Oxygen atom anion -75.067597 -75.067605 0.000007
O Oxygen atom -75.067597 -75.067605 0.000007
O+ Oxygen atom cation -75.067597 -75.067605 0.000007
O- Oxygen atom anion -74.660286 -74.660294 0.000007
O Oxygen atom -74.660286 -74.660294 0.000007
O+ Oxygen atom cation -74.660286 -74.660294 0.000007
O- Oxygen atom anion -74.660286 -74.660294 0.000007
O Oxygen atom -74.660286 -74.660294 0.000007
O+ Oxygen atom cation -74.660286 -74.660294 0.000007
OClO- Chlorine dioxide anion -610.430662 -610.430669 0.000007
OClO Chlorine dioxide -610.430662 -610.430669 0.000007
OClO+ Chlorine dioxide cation -610.430662 -610.430669 0.000007
CHClCHCl Ethene, 1,2-dichloro-, (Z)- -997.787356 -997.787364 0.000007
C3H4N2 1H-Imidazole -226.235378 -226.235386 0.000008
CH2ClCH2CH3 Propane, 1-chloro- -578.739913 -578.739921 0.000008
C6H10 1-Butyne, 3,3-dimethyl- -234.595091 -234.595099 0.000008
CH3OCH3 Dimethyl ether -155.041313 -155.041320 0.000008
CHClCHCl Ethene, 1,2-dichloro-, (Z)- -997.778564 -997.778571 0.000008
C5H7 cyclopentenyl radical -194.681033 -194.681041 0.000008
CH2ClCH2CH3 Propane, 1-chloro- -578.740156 -578.740164 0.000008
H2SO4 Sulfuric acid -700.233223 -700.233231 0.000008
H2CO3 Carbonic acid -264.993881 -264.993888 0.000008
CH2ClCHCl2 1,1,2-trichloroethane -1458.604519 -1458.604527 0.000008
CH3CHS Thioacetaldehyde -476.788080 -476.788088 0.000008
H2SO4 Sulfuric acid -700.203055 -700.203062 0.000008
HNO3 Nitric acid -280.878552 -280.878560 0.000008
HNS- HNS- -453.502538 -453.502546 0.000008
HNS HNS -453.502538 -453.502546 0.000008
Na2Cl2 Disodium dichloride -1245.198536 -1245.198544 0.000008
NaH- sodium hydride anion -162.585316 -162.585324 0.000008
NaH sodium hydride -162.585316 -162.585324 0.000008
NaH+ sodium hydride cation -162.585316 -162.585324 0.000008
C5H8 2,3-Pentadiene -195.293864 -195.293872 0.000008
C5H6 Cyclopropylacetylene -194.036507 -194.036515 0.000008
C3H6O3 1,3,5-Trioxane -343.565379 -343.565388 0.000008
SO2- Sulfur dioxide anion -548.616885 -548.616893 0.000008
SO2 Sulfur dioxide -548.616885 -548.616893 0.000008
SO2+ Sulfur dioxide cation -548.616885 -548.616893 0.000008
PCl3 Phosphorus trichloride -1721.999089 -1721.999097 0.000008
NaF- sodium fluoride anion -262.157453 -262.157461 0.000008
NaF sodium fluoride -262.157453 -262.157461 0.000008
NaF+ sodium fluoride cation -262.157453 -262.157461 0.000008
SO2- Sulfur dioxide anion -548.587479 -548.587488 0.000008
SO2 Sulfur dioxide -548.587479 -548.587488 0.000008
SO2+ Sulfur dioxide cation -548.587479 -548.587488 0.000008
C4H5N Cyclopropanecarbonitrile -210.154064 -210.154072 0.000008
SO3- Sulfur trioxide anion -623.774691 -623.774699 0.000008
SO3 Sulfur trioxide -623.774691 -623.774699 0.000008
SO3+ Sulfur trioxide cation -623.774691 -623.774699 0.000008
F2- flourine diatomic anion -198.934536 -198.934544 0.000008
F2 Fluorine diatomic -198.934536 -198.934544 0.000008
F2+ flourine diatomic cation -198.934536 -198.934544 0.000008
BCl- boron monochloride anion -484.955636 -484.955644 0.000008
BCl boron monochloride -484.955636 -484.955644 0.000008
BCl+ boron monochloride cation -484.955636 -484.955644 0.000008
C6H10 2,4-Hexadiene, (Z,Z)- -234.627156 -234.627165 0.000008
P- Phosphorus atom anion -341.276429 -341.276438 0.000009
P Phosphorus atom -341.276429 -341.276438 0.000009
P+ Phosphorus atom cation -341.276429 -341.276438 0.000009
BrONO Bromine nitrite -2776.752586 -2776.752594 0.000009
C5H8 1,2-Butadiene, 3-methyl- -195.294206 -195.294215 0.000009
HClO3 Chloric Acid -686.177421 -686.177429 0.000009
MgCl2 Magnesium dichloride -1120.630674 -1120.630683 0.000009
PO2- Phosphorus dioxide anion -491.869886 -491.869895 0.000009
PO2 Phosphorus dioxide -491.869886 -491.869895 0.000009
PO2+ Phosphorus dioxide cation -491.869886 -491.869895 0.000009
CaH2 Calcium Hydride -678.689873 -678.689882 0.000009
NaBr- sodium bromide anion -2734.105509 -2734.105518 0.000009
NaBr Sodium Bromide -2734.105509 -2734.105518 0.000009
NaBr+ sodium bromide cation -2734.105509 -2734.105518 0.000009
CaH2 Calcium Hydride -678.689873 -678.689882 0.000009
CF2O Carbonic difluoride -313.028625 -313.028634 0.000009
NF- nitrogen monofluorine anion -154.435915 -154.435924 0.000009
NF nitrogen fluoride -154.435915 -154.435924 0.000009
NF+ nitrogen monofluoirde cation -154.435915 -154.435924 0.000009
O- Oxygen atom anion -75.068488 -75.068497 0.000009
O Oxygen atom -75.068488 -75.068497 0.000009
O+ Oxygen atom cation -75.068488 -75.068497 0.000009
H2S2 HSSH -797.571777 -797.571786 0.000009
CH3OCl methyl hypochlorite -575.255357 -575.255366 0.000009
SO- sulfur monoxide anion -473.352481 -473.352491 0.000009
SO Sulfur monoxide -473.352481 -473.352491 0.000009
SO+ sulfur monoxide cation -473.352481 -473.352491 0.000009
NCl- nitrogen monochloride anion -514.758436 -514.758446 0.000009
NCl nitrogen monochloride -514.758436 -514.758446 0.000009
NCl+ nitrogen monochloride cation -514.758436 -514.758446 0.000009
CH2SiH2 silaethylene -329.941729 -329.941738 0.000009
ClF- clorine monofluoride anion -559.484083 -559.484092 0.000009
ClF Chlorine monofluoride -559.484083 -559.484092 0.000009
ClF+ clorine monofluoride cation -559.484083 -559.484092 0.000009
CH3CHSHCH3 2-Propanethiol -517.328812 -517.328821 0.000009
C4H7NO 2-Pyrrolidinone -286.630100 -286.630109 0.000009
C4H10O 2-Butanol, (.+/-.)- -233.667443 -233.667452 0.000009
C2H6N2O2 (E)-Azodioxymethane -339.626679 -339.626689 0.000010
CH2O2 Dioxirane -189.615543 -189.615552 0.000010
BHF2 Difluoroborane -225.264877 -225.264887 0.000010
O- Oxygen atom anion -75.085374 -75.085384 0.000010
O Oxygen atom -75.085374 -75.085384 0.000010
O+ Oxygen atom cation -75.085374 -75.085384 0.000010
CH2SHCH2SH 1,2-Ethanedithiol -876.193321 -876.193330 0.000010
ClOO chloroperoxy radical -610.471395 -610.471405 0.000010
ClOO+ chloroperoxy cation -610.471395 -610.471405 0.000010
P- Phosphorus atom anion -341.255335 -341.255345 0.000010
P Phosphorus atom -341.255335 -341.255345 0.000010
P+ Phosphorus atom cation -341.255335 -341.255345 0.000010
B- Boron atom anion -24.518619 -24.518629 0.000010
B Boron atom -24.518619 -24.518629 0.000010
B+ Boron atom cation -24.518619 -24.518629 0.000010
B- Boron atom anion -24.518619 -24.518629 0.000010
B Boron atom -24.518619 -24.518629 0.000010
B+ Boron atom cation -24.518619 -24.518629 0.000010
C5H12S 1-Butanethiol, 3-methyl- -595.951967 -595.951977 0.000010
P- Phosphorus atom anion -341.258080 -341.258090 0.000010
P Phosphorus atom -341.258080 -341.258090 0.000010
P+ Phosphorus atom cation -341.258080 -341.258090 0.000010
O- Oxygen atom anion -75.058320 -75.058330 0.000010
O Oxygen atom -75.058320 -75.058330 0.000010
O+ Oxygen atom cation -75.058320 -75.058330 0.000010
O- Oxygen atom anion -75.060612 -75.060621 0.000010
O Oxygen atom -75.060612 -75.060621 0.000010
O+ Oxygen atom cation -75.060612 -75.060621 0.000010
P- Phosphorus atom anion -341.258080 -341.258090 0.000010
P Phosphorus atom -341.258080 -341.258090 0.000010
P+ Phosphorus atom cation -341.258080 -341.258090 0.000010
O- Oxygen atom anion -75.060611 -75.060621 0.000010
O Oxygen atom -75.060611 -75.060621 0.000010
O+ Oxygen atom cation -75.060611 -75.060621 0.000010
C4H6N2 1H-Imidazole, 2-methyl- -265.537266 -265.537276 0.000010
S2- sulfur dimer anion -796.362880 -796.362890 0.000010
S2 Sulfur diatomic -796.362880 -796.362890 0.000010
S2+ sulfur dimer cation -796.362880 -796.362890 0.000010
C2H6O2S Dimethyl sulfone -628.422892 -628.422902 0.000010
CHCCH2CH3 1-Butyne -155.966867 -155.966877 0.000010
C4H10O2 Ethane, 1,2-dimethoxy- -308.855947 -308.855957 0.000010
C3H5ClO Oxirane, (chloromethyl)- -652.701340 -652.701350 0.000010
C2H6O2S Dimethyl sulfone -628.400813 -628.400823 0.000010
KF Potassium Fluoride -699.756088 -699.756099 0.000010
CH2CClCH2CH3 1-Butene, 2-chloro- -616.820223 -616.820234 0.000011
CH3COF Acetyl fluoride -253.114018 -253.114028 0.000011
C3H7ONO Propyl nitrite -323.637041 -323.637052 0.000011
B3N3H6 borazine -242.670166 -242.670176 0.000011
H2S2 HSSH -797.580176 -797.580186 0.000011
C4H6O Furan, 2,3-dihydro- -231.221786 -231.221797 0.000011
Al(CH3)3 trimethyl aluminum -357.894808 -357.894819 0.000011
CBrCl3 Methane, bromotrichloro- -3990.364054 -3990.364065 0.000011
CF2- Difluoromethylene anion -237.284719 -237.284730 0.000011
CF2 Difluoromethylene -237.284719 -237.284730 0.000011
CF2+ Difluoromethylene cation -237.284719 -237.284730 0.000011
CH3COCl Acetyl Chloride -613.459008 -613.459019 0.000011
MgOH magnesium hydroxide -275.908750 -275.908762 0.000011
FO- flourine oxide anion -174.402803 -174.402814 0.000012
FO Oxygen monofluoride -174.402803 -174.402814 0.000012
FO+ fluorine monoxide cation -174.402803 -174.402814 0.000012
SeS- selenium monosulfide anion -2797.217015 -2797.217026 0.000012
SeS Selenium monosulfide -2797.217015 -2797.217026 0.000012
SeS+ selenium monosulfide cation -2797.217015 -2797.217026 0.000012
AlCl- aluminum monochloride anion -702.687329 -702.687341 0.000012
AlCl Aluminum monochloride -702.687329 -702.687341 0.000012
AlCl+ aluminum monochloride cation -702.687329 -702.687341 0.000012
C6H10 1,5-Hexadiene -234.609635 -234.609647 0.000012
OClO- Chlorine dioxide anion -610.417258 -610.417270 0.000012
OClO Chlorine dioxide -610.417258 -610.417270 0.000012
OClO+ Chlorine dioxide cation -610.417258 -610.417270 0.000012
C3H8O2 Methane, dimethoxy- -269.542453 -269.542465 0.000012
MgCl- magnesium monochloride anion -660.037592 -660.037604 0.000012
MgCl magnesium monochloride -660.037592 -660.037604 0.000012
MgCl+ magnesium monochloride cation -660.037592 -660.037604 0.000012
C5H5- cylopentadienyl anion -193.500750 -193.500762 0.000012
C3H8O3 1,2,3-Propanetriol -344.763444 -344.763456 0.000012
C4H12N2 1,2-Butanediamine -269.140470 -269.140482 0.000012
NaBr- sodium bromide anion -2733.762411 -2733.762423 0.000012
NaBr Sodium Bromide -2733.762411 -2733.762423 0.000012
NaBr+ sodium bromide cation -2733.762411 -2733.762423 0.000012
C5H11N Cyclopentanamine -251.900177 -251.900189 0.000012
PS- phosphorus monosulfide anion -739.535455 -739.535467 0.000012
PS phosphorus sulfide -739.535455 -739.535467 0.000012
PS+ phosphorus monosulfide cation -739.535455 -739.535467 0.000012
LiBr- lithium bromide cation -2579.313617 -2579.313630 0.000012
LiBr Lithium Bromide -2579.313617 -2579.313630 0.000012
LiBr+ lithium bromide anion -2579.313617 -2579.313630 0.000012
C5H12O 1-Butanol, 3-methyl- -272.972278 -272.972290 0.000012
N2F2 Dinitrogen difluoride, (E)- -309.008521 -309.008533 0.000013
H3PO4 Phosphoric Acid -644.131499 -644.131511 0.000013
C5H10S Thiophene, tetrahydro-3-methyl- -594.750059 -594.750071 0.000013
HCO3- bicarbonate anion -264.425677 -264.425690 0.000013
C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- -213.797622 -213.797635 0.000013
SiCl2 Dichlorosilylene -1209.953592 -1209.953605 0.000013
C4H10O2 1,1-Dimethoxyethane -308.862229 -308.862242 0.000013
CH3CHF2 Ethane, 1,1-difluoro- -278.331884 -278.331897 0.000013
NF- nitrogen monofluorine anion -154.402719 -154.402732 0.000013
NF nitrogen fluoride -154.402719 -154.402732 0.000013
NF+ nitrogen monofluoirde cation -154.402719 -154.402732 0.000013
CH3CH2O Ethoxy radical -154.370473 -154.370487 0.000013
CH2ClBr Methane, bromochloro- -3071.204473 -3071.204487 0.000013
ClO- chlorine monoxide anion -534.836828 -534.836842 0.000013
ClO Monochlorine monoxide -534.836828 -534.836842 0.000013
ClO+ chlorine monoxide cation -534.836828 -534.836842 0.000013
LiO- lithium oxide anion -82.688210 -82.688224 0.000014
LiO lithium oxide -82.688210 -82.688224 0.000014
LiO+ lithium oxide cation -82.688210 -82.688224 0.000014
CCl- carbon monochloride anion -498.158731 -498.158744 0.000014
CCl carbon monochloride -498.158731 -498.158744 0.000014
CCl+ carbon monochloride cation -498.158731 -498.158744 0.000014
SiCl- silicon monochloride anion -749.386250 -749.386264 0.000014
SiCl Clorosilylidyne -749.386250 -749.386264 0.000014
SiCl+ silicon monochloride cation -749.386250 -749.386264 0.000014
C5H8 1,2-Butadiene, 3-methyl- -195.314200 -195.314214 0.000014
BF3- Borane, trifluoro- anion -324.009326 -324.009339 0.000014
BF3 Borane, trifluoro- -324.009326 -324.009339 0.000014
BF3+ boron trifluoride cation -324.009326 -324.009339 0.000014
NCl- nitrogen monochloride anion -514.824237 -514.824251 0.000014
NCl nitrogen monochloride -514.824237 -514.824251 0.000014
NCl+ nitrogen monochloride cation -514.824237 -514.824251 0.000014
SO3- Sulfur trioxide anion -623.297856 -623.297870 0.000014
SO3 Sulfur trioxide -623.297856 -623.297870 0.000014
SO3+ Sulfur trioxide cation -623.297856 -623.297870 0.000014
Br- Bromine atom anion -2571.220712 -2571.220726 0.000014
Br Bromine atom -2571.220712 -2571.220726 0.000014
Br+ Bromine atom cation -2571.220712 -2571.220726 0.000014
P- Phosphorus atom anion -339.616855 -339.616869 0.000014
P Phosphorus atom -339.616855 -339.616869 0.000014
P+ Phosphorus atom cation -339.616855 -339.616869 0.000014
Br- Bromine atom anion -2571.761339 -2571.761353 0.000014
Br Bromine atom -2571.761339 -2571.761353 0.000014
Br+ Bromine atom cation -2571.761339 -2571.761353 0.000014
CH3NHNHCH3 dimethyl hydrazine -190.477325 -190.477339 0.000014
P- Phosphorus atom anion -339.548405 -339.548420 0.000014
P Phosphorus atom -339.548405 -339.548420 0.000014
P+ Phosphorus atom cation -339.548405 -339.548420 0.000014
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- -1234.888925 -1234.888940 0.000014
CH3SCH3 Dimethyl sulfide -478.013808 -478.013823 0.000014
PS- phosphorus monosulfide anion -739.570222 -739.570237 0.000015
PS phosphorus sulfide -739.570222 -739.570237 0.000015
PS+ phosphorus monosulfide cation -739.570222 -739.570237 0.000015
CH3SCH3 Dimethyl sulfide -478.025920 -478.025934 0.000015
Na2O disodium monoxide -399.787900 -399.787914 0.000015
LiBr- lithium bromide cation -2578.974894 -2578.974908 0.000015
LiBr Lithium Bromide -2578.974894 -2578.974908 0.000015
LiBr+ lithium bromide anion -2578.974894 -2578.974908 0.000015
SCl2 Sulfur dichloride -1318.554958 -1318.554973 0.000015
C6H8 1,3,5-Hexatriene, (Z)- -233.395507 -233.395521 0.000015
C5H12 Butane, 2-methyl- -197.771116 -197.771131 0.000015
C5H10S 2H-Thiopyran, tetrahydro- -594.772454 -594.772469 0.000015
CH2F2 Methane, difluoro- -239.001930 -239.001945 0.000015
S2- sulfur dimer anion -796.007361 -796.007376 0.000015
S2 Sulfur diatomic -796.007361 -796.007376 0.000015
S2+ sulfur dimer cation -796.007361 -796.007376 0.000015
Al- Aluminum atom anion -242.389497 -242.389513 0.000015
Al Aluminum atom -242.389497 -242.389513 0.000015
Al+ Aluminum atom cation -242.389497 -242.389513 0.000015
C3H4S3 1,3-Dithiolane-2-thione -1311.291417 -1311.291432 0.000015
SCl2 Sulfur dichloride -1318.558680 -1318.558696 0.000016
C6H10 Cyclopentene, 1-methyl- -234.648126 -234.648142 0.000016
NF- nitrogen monofluorine anion -154.362056 -154.362072 0.000016
NF nitrogen fluoride -154.362056 -154.362072 0.000016
NF+ nitrogen monofluoirde cation -154.362056 -154.362072 0.000016
SO3- Sulfur trioxide anion -623.831895 -623.831910 0.000016
SO3 Sulfur trioxide -623.831895 -623.831910 0.000016
SO3+ Sulfur trioxide cation -623.831895 -623.831910 0.000016
C3H6O Oxetane -193.105015 -193.105030 0.000016
CH3COF Acetyl fluoride -253.092204 -253.092219 0.000016
ClO- chlorine monoxide anion -534.893975 -534.893991 0.000016
ClO Monochlorine monoxide -534.893975 -534.893991 0.000016
ClO+ chlorine monoxide cation -534.893975 -534.893991 0.000016
C2H2O4 Oxalic Acid -378.319471 -378.319487 0.000016
C4H8O2 1,4-Dioxane -307.682318 -307.682334 0.000016
C6H12 1-Hexene -235.847657 -235.847674 0.000016
C5H10S 2H-Thiopyran, tetrahydro- -594.752989 -594.753006 0.000016
CaCO3 Calcium Carbonate -936.547759 -936.547776 0.000017
B- Boron atom anion -2.607013 -2.607029 0.000017
B Boron atom -2.607013 -2.607029 0.000017
B+ Boron atom cation -2.607013 -2.607029 0.000017
C5H12S 2-Butanethiol, 2-methyl- -595.954027 -595.954043 0.000017
FNO Nitrosyl fluoride -229.702511 -229.702528 0.000017
C2Cl4 Tetrachloroethylene -1916.949404 -1916.949421 0.000017
NH2CSNH2 Thiourea -548.215629 -548.215646 0.000017
CHF2Cl difluorochloromethane -698.596425 -698.596442 0.000017
LiF- lithium fluoride anion -107.417614 -107.417631 0.000017
LiF lithium fluoride -107.417614 -107.417631 0.000017
LiF+ lithium fluoride cation -107.417614 -107.417631 0.000017
CF2Cl2 difluorodichloromethane -1158.159242 -1158.159260 0.000017
C5H12S Ethyl propyl sulfide -595.956277 -595.956295 0.000017
CHF2Cl difluorochloromethane -698.572028 -698.572045 0.000017
NaF- sodium fluoride anion -262.173225 -262.173243 0.000018
NaF sodium fluoride -262.173225 -262.173243 0.000018
NaF+ sodium fluoride cation -262.173225 -262.173243 0.000018
CHClCHCl Ethene, 1,2-dichloro-, (E)- -997.778379 -997.778396 0.000018
C5H10O 2-Butanone, 3-methyl- -271.781283 -271.781300 0.000018
SO3- Sulfur trioxide anion -623.759192 -623.759210 0.000018
SO3 Sulfur trioxide -623.759192 -623.759210 0.000018
SO3+ Sulfur trioxide cation -623.759192 -623.759210 0.000018
CCl2- dichloromethylene anion -958.438300 -958.438318 0.000018
CCl2 dichloromethylene -958.438300 -958.438318 0.000018
CCl2+ dichloromethylene cation -958.438300 -958.438318 0.000018
CH2CF2 Ethene, 1,1-difluoro- -277.058678 -277.058696 0.000018
CHClCHCl Ethene, 1,2-dichloro-, (E)- -997.786908 -997.786926 0.000018
COFCl Carbonic chloride fluoride -673.360435 -673.360453 0.000018
CF2Cl2 difluorodichloromethane -1158.180452 -1158.180470 0.000018
ClO3- chlorate anion -685.641220 -685.641238 0.000018
MgO- magnesium oxide anion -275.278151 -275.278170 0.000018
MgO magnesium oxide -275.278151 -275.278170 0.000018
MgO+ magnesium oxide cation -275.278151 -275.278170 0.000018
SO2Cl2 Sulfuryl chloride -1468.954407 -1468.954426 0.000019
CH3COCl Acetyl Chloride -613.445898 -613.445917 0.000019
CH3CCCH3 2-Butyne -155.978958 -155.978977 0.000019
CH2CCl2 Ethene, 1,1-dichloro- -997.775291 -997.775310 0.000019
SO2Cl2 Sulfuryl chloride -1468.941981 -1468.941999 0.000019
C6H12 Cyclohexane -235.880436 -235.880455 0.000019
C2Cl4 Tetrachloroethylene -1916.955804 -1916.955823 0.000019
OClO- Chlorine dioxide anion -610.020044 -610.020063 0.000019
OClO Chlorine dioxide -610.020044 -610.020063 0.000019
OClO+ Chlorine dioxide cation -610.020044 -610.020063 0.000019
CH2CCl2 Ethene, 1,1-dichloro- -997.784402 -997.784421 0.000019
CHBrCl2 Methane, bromodichloro- -3530.787781 -3530.787801 0.000019
HOCl hypochlorous acid -535.957739 -535.957758 0.000019
CaCO3 Calcium Carbonate -936.547842 -936.547862 0.000020
O3- Ozone anion -225.470686 -225.470706 0.000020
O3 Ozone -225.470686 -225.470706 0.000020
O3+ Ozone cation -225.470686 -225.470706 0.000020
Se- Selenium atom anion -2401.570112 -2401.570132 0.000020
Se Selenium atom -2401.570112 -2401.570132 0.000020
Se+ Selenium atom cation -2401.570112 -2401.570132 0.000020
CH3C(NH2)HCH2CH3 2-Butanamine -213.800138 -213.800158 0.000020
AlFCl2 Aluminum dichloride fluoride -1262.893741 -1262.893761 0.000020
DOCl Hypochlorous acid-d -535.957739 -535.957758 0.000020
C4H8O2 1,4-Dioxane -307.658240 -307.658260 0.000020
BF3- Borane, trifluoro- anion -324.553220 -324.553240 0.000020
BF3 Borane, trifluoro- -324.553220 -324.553240 0.000020
BF3+ boron trifluoride cation -324.553220 -324.553240 0.000020
FO2 Dioxygen monofluoride -250.054798 -250.054818 0.000020
ClO- chlorine monoxide anion -535.340889 -535.340909 0.000020
ClO Monochlorine monoxide -535.340889 -535.340909 0.000020
ClO+ chlorine monoxide cation -535.340889 -535.340909 0.000020
P- Phosphorus atom anion -341.280483 -341.280503 0.000020
P Phosphorus atom -341.280483 -341.280503 0.000020
P+ Phosphorus atom cation -341.280483 -341.280503 0.000020
Kr Krypton atom -2751.078602 -2751.078622 0.000021
MgO- magnesium oxide anion -275.216197 -275.216218 0.000021
MgO magnesium oxide -275.216197 -275.216218 0.000021
MgO+ magnesium oxide cation -275.216197 -275.216218 0.000021
C2F4 Tetrafluoroethylene -475.499596 -475.499617 0.000021
PF- phosphorus monofluoride anion -441.092434 -441.092455 0.000021
PF phosphorus monofluoride -441.092434 -441.092455 0.000021
PF+ phosphorus monofluoride cation -441.092434 -441.092455 0.000021
C4H6S Thiophene, 2,5-dihydro- -554.219686 -554.219707 0.000021
SO- sulfur monoxide anion -473.371937 -473.371958 0.000021
SO Sulfur monoxide -473.371937 -473.371958 0.000021
SO+ sulfur monoxide cation -473.371937 -473.371958 0.000021
LiBr- lithium bromide cation -2579.331003 -2579.331025 0.000021
LiBr Lithium Bromide -2579.331003 -2579.331025 0.000021
LiBr+ lithium bromide anion -2579.331003 -2579.331025 0.000021
SiCl2 Dichlorosilylene -1209.950384 -1209.950406 0.000022
NF2 Difluoroamino radical -254.262475 -254.262498 0.000022
NF2+ Difluoroamino cation -254.262475 -254.262498 0.000022
C2H5SC2H5 Diethyl sulfide -556.661989 -556.662011 0.000022
C2F4 Tetrafluoroethylene -475.536440 -475.536462 0.000022
COBr2 Carbonic dibromide -5256.732497 -5256.732519 0.000022
BF3- Borane, trifluoro- anion -324.488798 -324.488820 0.000023
BF3 Borane, trifluoro- -324.488798 -324.488820 0.000023
BF3+ boron trifluoride cation -324.488798 -324.488820 0.000023
SeS- selenium monosulfide anion -2797.613671 -2797.613694 0.000023
SeS Selenium monosulfide -2797.613671 -2797.613694 0.000023
SeS+ selenium monosulfide cation -2797.613671 -2797.613694 0.000023
S2- sulfur dimer anion -796.325974 -796.325998 0.000023
S2 Sulfur diatomic -796.325974 -796.325998 0.000023
S2+ sulfur dimer cation -796.325974 -796.325998 0.000023
CH2CF2 Ethene, 1,1-difluoro- -277.083394 -277.083418 0.000024
C2H5SC2H5 Diethyl sulfide -556.642533 -556.642557 0.000024
ZnF- Zinc monofluoride anion -1878.933437 -1878.933461 0.000024
ZnF Zinc monofluoride -1878.933437 -1878.933461 0.000024
ZnF+ Zinc monofluoride cation -1878.933437 -1878.933461 0.000024
Se- Selenium atom anion -2401.570465 -2401.570489 0.000024
Se Selenium atom -2401.570465 -2401.570489 0.000024
Se+ Selenium atom cation -2401.570465 -2401.570489 0.000024
C4H6S Thiophene, 2,5-dihydro- -554.204319 -554.204343 0.000024
NF3- Nitrogen trifluoride anion -353.625955 -353.625979 0.000024
NF3 Nitrogen trifluoride -353.625955 -353.625979 0.000024
NF3+ Nitrogen trifluoride cation -353.625955 -353.625979 0.000024
SO2- Sulfur dioxide anion -548.599358 -548.599382 0.000024
SO2 Sulfur dioxide -548.599358 -548.599382 0.000024
SO2+ Sulfur dioxide cation -548.599358 -548.599382 0.000024
CF2- Difluoromethylene anion -237.711311 -237.711335 0.000025
CF2 Difluoromethylene -237.711311 -237.711335 0.000025
CF2+ Difluoromethylene cation -237.711311 -237.711335 0.000025
CF2- Difluoromethylene anion -237.689754 -237.689779 0.000026
CF2 Difluoromethylene -237.689754 -237.689779 0.000026
CF2+ Difluoromethylene cation -237.689754 -237.689779 0.000026
Li2O dilithium oxide -90.080492 -90.080517 0.000026
Li2O+ dilithium oxide cation -90.080492 -90.080517 0.000026
NH2Cl chloramine -516.103433 -516.103459 0.000026
CH5N3S Hydrazinecarbothioamide -603.535695 -603.535721 0.000026
MgO- magnesium oxide anion -274.937044 -274.937069 0.000026
MgO magnesium oxide -274.937044 -274.937069 0.000026
MgO+ magnesium oxide cation -274.937044 -274.937069 0.000026
CH3CN- acetonitrile anion -132.634069 -132.634095 0.000026
CH3CN Acetonitrile -132.634069 -132.634095 0.000026
CH3CN+ Acetonitrile cation -132.634069 -132.634095 0.000026
PCl- phosphorus monochloride anion -801.167080 -801.167106 0.000026
PCl phosphorus chloride -801.167080 -801.167106 0.000026
PCl+ phosphorus monochloride cation -801.167080 -801.167106 0.000026
NF2 Difluoroamino radical -254.284673 -254.284699 0.000026
NF2+ Difluoroamino cation -254.284673 -254.284699 0.000026
ClF- clorine monofluoride anion -560.017531 -560.017557 0.000026
ClF Chlorine monofluoride -560.017531 -560.017557 0.000026
ClF+ clorine monofluoride cation -560.017531 -560.017557 0.000026
NaO- sodium oxide anion -237.432342 -237.432368 0.000026
NaO sodium monoxide -237.432342 -237.432368 0.000026
NaO+ sodium oxide cation -237.432342 -237.432368 0.000026
PCl- phosphorus monochloride anion -801.464897 -801.464924 0.000027
PCl phosphorus chloride -801.464897 -801.464924 0.000027
PCl+ phosphorus monochloride cation -801.464897 -801.464924 0.000027
SeO- selenium monoxide anion -2474.491301 -2474.491329 0.000028
SeO Selenium monoxide -2474.491301 -2474.491329 0.000028
SeO+ selenium monoxide cation -2474.491301 -2474.491329 0.000028
CH3CF3 Ethane, 1,1,1-trifluoro- -377.554903 -377.554931 0.000028
ClNO2 Nitryl chloride -665.272712 -665.272741 0.000029
AlF- Aluminum monofluoride anion -341.979983 -341.980012 0.000029
AlF Aluminum monofluoride -341.979983 -341.980012 0.000029
AlF+ Aluminum monofluoride cation -341.979983 -341.980012 0.000029
HBr- hydrogen bromide anion -2571.871661 -2571.871690 0.000029
HBr hydrogen bromide -2571.871661 -2571.871690 0.000029
HBr+ hydrogen bromide cation -2571.871661 -2571.871690 0.000029
ClNO2 Nitryl chloride -665.261237 -665.261266 0.000029
SiF- silicon monofluoride anion -389.034752 -389.034781 0.000030
SiF silicon monofluoride -389.034752 -389.034781 0.000030
SiF+ silicon monofluoride cation -389.034752 -389.034781 0.000030
NCl- nitrogen monochloride anion -514.823348 -514.823378 0.000030
NCl nitrogen monochloride -514.823348 -514.823378 0.000030
NCl+ nitrogen monochloride cation -514.823348 -514.823378 0.000030
SeO- selenium monoxide anion -2474.162299 -2474.162329 0.000030
SeO Selenium monoxide -2474.162299 -2474.162329 0.000030
SeO+ selenium monoxide cation -2474.162299 -2474.162329 0.000030
COHBr COHBr -2685.623895 -2685.623925 0.000030
Br2- bromine diatomic anion -5143.486715 -5143.486746 0.000031
Br2 Bromine diatomic -5143.486715 -5143.486746 0.000031
Br2+ bromine diatomic cation -5143.486715 -5143.486746 0.000031
Cl2- chlorine diatomic anion -920.451905 -920.451937 0.000032
Cl2 Chlorine diatomic -920.451905 -920.451937 0.000032
Cl2+ chlorine diatomic cation -920.451905 -920.451937 0.000032
B2F4 Diboron tetrafluoride -449.293441 -449.293473 0.000032
CF3CN Acetonitrile, trifluoro- -430.446509 -430.446541 0.000032
ClFO3 Perchloryl fluoride -785.311760 -785.311793 0.000033
F3NO Nitrogen trifluoride oxide -429.246725 -429.246758 0.000033
O- Oxygen atom anion -15.831641 -15.831675 0.000034
O Oxygen atom -15.831641 -15.831675 0.000034
O+ Oxygen atom cation -15.831641 -15.831675 0.000034
NF3- Nitrogen trifluoride anion -354.078409 -354.078444 0.000034
NF3 Nitrogen trifluoride -354.078409 -354.078444 0.000034
NF3+ Nitrogen trifluoride cation -354.078409 -354.078444 0.000034
MgF- magnesium fluoride anion -299.665082 -299.665117 0.000035
MgF Magnesium monofluoride -299.665082 -299.665117 0.000035
MgF+ magnesium fluoride cation -299.665082 -299.665117 0.000035
CHF3 Methane, trifluoro- -338.225922 -338.225957 0.000035
C- Carbon atom anion -5.407906 -5.407941 0.000035
C Carbon atom -5.407906 -5.407941 0.000035
C+ Carbon atom cation -5.407906 -5.407941 0.000035
BrF- bromine fluoride anion -2671.535978 -2671.536013 0.000035
BrF Bromine monofluoride -2671.535978 -2671.536013 0.000035
BrF+ bromine fluoride cation -2671.535978 -2671.536013 0.000035
Br2- bromine diatomic anion -5143.014476 -5143.014513 0.000037
Br2 Bromine diatomic -5143.014476 -5143.014513 0.000037
Br2+ bromine diatomic cation -5143.014476 -5143.014513 0.000037
Se- Selenium atom anion -2401.489839 -2401.489876 0.000037
Se Selenium atom -2401.489839 -2401.489876 0.000037
Se+ Selenium atom cation -2401.489839 -2401.489876 0.000037
Se- Selenium atom anion -2401.489839 -2401.489876 0.000037
Se Selenium atom -2401.489839 -2401.489876 0.000037
Se+ Selenium atom cation -2401.489839 -2401.489876 0.000037
NF2 Difluoroamino radical -253.837037 -253.837074 0.000038
NF2+ Difluoroamino cation -253.837037 -253.837074 0.000038
CF3- Trifluoromethyl anion -337.550988 -337.551026 0.000038
CF3 Trifluoromethyl radical -337.550988 -337.551026 0.000038
CF3+ Trifluoromethyl cation -337.550988 -337.551026 0.000038
ClONO2 Chlorine nitrate -740.409432 -740.409471 0.000039
Se- Selenium atom anion -2401.491926 -2401.491966 0.000040
Se Selenium atom -2401.491926 -2401.491966 0.000040
Se+ Selenium atom cation -2401.491926 -2401.491966 0.000040
Cl2- chlorine diatomic anion -919.926599 -919.926639 0.000040
Cl2 Chlorine diatomic -919.926599 -919.926639 0.000040
Cl2+ chlorine diatomic cation -919.926599 -919.926639 0.000040
PF- phosphorus monofluoride anion -440.791336 -440.791376 0.000041
PF phosphorus monofluoride -440.791336 -440.791376 0.000041
PF+ phosphorus monofluoride cation -440.791336 -440.791376 0.000041
CF3Cl Methane, chlorotrifluoro- -797.816720 -797.816761 0.000041
CBr2F2 Methane, dibromodifluoro- -5381.175349 -5381.175391 0.000042
SCl- sulfur monochloride anion -857.981020 -857.981062 0.000042
SCl sulfur monochloride -857.981020 -857.981062 0.000042
SCl+ sulfur monochloride cation -857.981020 -857.981062 0.000042
SCl- sulfur monochloride anion -857.934342 -857.934385 0.000044
SCl sulfur monochloride -857.934342 -857.934385 0.000044
SCl+ sulfur monochloride cation -857.934342 -857.934385 0.000044
BrOBr Bromine oxide -5218.522488 -5218.522532 0.000044
S2- sulfur dimer anion -796.416207 -796.416251 0.000044
S2 Sulfur diatomic -796.416207 -796.416251 0.000044
S2+ sulfur dimer cation -796.416207 -796.416251 0.000044
LiF- lithium fluoride anion -107.420475 -107.420520 0.000045
LiF lithium fluoride -107.420475 -107.420520 0.000045
LiF+ lithium fluoride cation -107.420475 -107.420520 0.000045
CF3- Trifluoromethyl anion -337.572503 -337.572549 0.000046
CF3 Trifluoromethyl radical -337.572503 -337.572549 0.000046
CF3+ Trifluoromethyl cation -337.572503 -337.572549 0.000046
C2F6 hexafluoroethane -675.254865 -675.254913 0.000048
NF3- Nitrogen trifluoride anion -354.071263 -354.071311 0.000048
NF3 Nitrogen trifluoride -354.071263 -354.071311 0.000048
NF3+ Nitrogen trifluoride cation -354.071263 -354.071311 0.000048
SF- sulfur monofluoride anion -497.520440 -497.520491 0.000051
SF Monosulfur monofluoride -497.520440 -497.520491 0.000051
SF+ sulfur monofluoride cation -497.520440 -497.520491 0.000051
SF- sulfur monofluoride anion -497.578306 -497.578359 0.000053
SF Monosulfur monofluoride -497.578306 -497.578359 0.000053
SF+ sulfur monofluoride cation -497.578306 -497.578359 0.000053
CHClBr2 Methane, dibromochloro- -5642.296851 -5642.296904 0.000053
NaO- sodium oxide anion -237.426945 -237.427002 0.000057
NaO sodium monoxide -237.426945 -237.427002 0.000057
NaO+ sodium oxide cation -237.426945 -237.427002 0.000057
CF3Br Bromotrifluoromethane -2909.323607 -2909.323667 0.000060
CHBrF2 Methane, bromodifluoro- -2810.078573 -2810.078633 0.000060
B- Boron atom anion -24.663695 -24.663758 0.000063
B Boron atom -24.663695 -24.663758 0.000063
B+ Boron atom cation -24.663695 -24.663758 0.000063
SF6 Sulfur Hexafluoride -997.106744 -997.106812 0.000068
C6H12 Cyclohexane -235.870053 -235.870122 0.000069
CBrClF2 Methane, bromochlorodifluoro- -3269.666962 -3269.667035 0.000073
BrOCl BrOCl -3107.000222 -3107.000296 0.000074
SeO- selenium monoxide anion -2474.561752 -2474.561826 0.000074
SeO Selenium monoxide -2474.561752 -2474.561826 0.000074
SeO+ selenium monoxide cation -2474.561752 -2474.561826 0.000074
ClOO chloroperoxy radical -610.463903 -610.463980 0.000077
ClOO+ chloroperoxy cation -610.463903 -610.463980 0.000077
CCl4 Carbon tetrachloride -1878.854167 -1878.854249 0.000082
C6H4 (E)-Hexa-1,5-diyne-3-ene -230.881321 -230.881405 0.000084
ClF5 chlorinepentafluoride -958.983562 -958.983664 0.000102
CaCO3 Calcium Carbonate -936.547759 -936.547862 0.000103
Na2O disodium monoxide -399.787714 -399.787825 0.000111
BrO Bromine monoxide -2646.810716 -2646.810829 0.000113
BrCl- bromine chloride anion -3031.969477 -3031.969595 0.000118
BrCl Bromine monochloride -3031.969477 -3031.969595 0.000118
BrCl+ bromine chloride cation -3031.969477 -3031.969595 0.000118
CaCO3 Calcium Carbonate -930.836763 -930.836884 0.000121
F2- flourine diatomic anion -199.568927 -199.569065 0.000138
F2 Fluorine diatomic -199.568927 -199.569065 0.000138
F2+ flourine diatomic cation -199.568927 -199.569065 0.000138
NH3O Ammonia Oxide -131.747655 -131.747805 0.000150
CH3CO- Acetyl anion -152.923370 -152.923535 0.000165
CH3CO Acetyl radical -152.923370 -152.923535 0.000165
CH3CO+ acetyl cation -152.923370 -152.923535 0.000165
Na2O disodium monoxide -399.787714 -399.787914 0.000200
C3H6S Thietane -516.108374 -516.108611 0.000237
B- Boron atom anion -24.659548 -24.659797 0.000249
B Boron atom -24.659548 -24.659797 0.000249
B+ Boron atom cation -24.659548 -24.659797 0.000249
CH2ClCH2CH3 Propane, 1-chloro- -578.739913 -578.740164 0.000250
Cu- Copper atom anion -1640.172180 -1640.172435 0.000255
Cu Copper atom -1640.172180 -1640.172435 0.000255
Cu+ Copper atom cation -1640.172180 -1640.172435 0.000255
C3H6S Thietane -516.095795 -516.096060 0.000265
ZnF2 Zinc difluoride -1978.850463 -1978.850737 0.000273
Cu- Copper atom anion -1640.172466 -1640.172742 0.000276
Cu Copper atom -1640.172466 -1640.172742 0.000276
Cu+ Copper atom cation -1640.172466 -1640.172742 0.000276
AlH3- aluminum trihydride anion -244.204301 -244.204659 0.000357
AlH3 aluminum trihydride -244.204301 -244.204659 0.000357
AlH3+ aluminum trihydride cation -244.204301 -244.204659 0.000357
CH3OO- methylperoxy anion -190.215231 -190.215742 0.000511
CH3OO methylperoxy radical -190.215231 -190.215742 0.000511
CH3OO+ methylperoxy cation -190.215231 -190.215742 0.000511
C5H11N Piperidine -251.903855 -251.904377 0.000522
C2H4F2 1,2-difluoroethane -278.277995 -278.278595 0.000600
CaH2 Calcium Hydride -678.744098 -678.744719 0.000620
CH2- methylene anion -39.128249 -39.128901 0.000651
CH2 Methylene -39.128249 -39.128901 0.000651
CH2+ methylene cation -39.128249 -39.128901 0.000651
Al- Aluminum atom anion -242.382197 -242.382859 0.000662
Al Aluminum atom -242.382197 -242.382859 0.000662
Al+ Aluminum atom cation -242.382197 -242.382859 0.000662
NCl- nitrogen monochloride anion -514.823348 -514.824251 0.000903
NCl nitrogen monochloride -514.823348 -514.824251 0.000903
NCl+ nitrogen monochloride cation -514.823348 -514.824251 0.000903
AlH3- aluminum trihydride anion -243.793739 -243.794809 0.001070
AlH3 aluminum trihydride -243.793739 -243.794809 0.001070
AlH3+ aluminum trihydride cation -243.793739 -243.794809 0.001070
H2OCH3OCH3 water dimethylether dimer -231.560909 -231.562074 0.001165
Al- Aluminum atom anion -1.931877 -1.933045 0.001168
Al Aluminum atom -1.931877 -1.933045 0.001168
Al+ Aluminum atom cation -1.931877 -1.933045 0.001168
C5H11N Piperidine -251.928931 -251.930171 0.001240
Al- Aluminum atom anion -242.368234 -242.369481 0.001248
Al Aluminum atom -242.368234 -242.369481 0.001248
Al+ Aluminum atom cation -242.368234 -242.369481 0.001248
CaH2 Calcium Hydride -678.748462 -678.749787 0.001325
CH3CH2CH2CH3 Butane -158.456714 -158.458044 0.001330
BeF- Beryllium monofluoride anion -114.610356 -114.611770 0.001414
BeF Beryllium monofluoride -114.610356 -114.611770 0.001414
BeF+ Beryllium monofluoride cation -114.610356 -114.611770 0.001414
CH3CH2CH2CH3 Butane -158.475139 -158.476584 0.001445
HCS- Thioformyl anion -436.802725 -436.804177 0.001452
HCS Thioformyl radical -436.802725 -436.804177 0.001452
HCS+ Thioformyl cation -436.802725 -436.804177 0.001452
CH3CN- acetonitrile anion -132.318628 -132.320116 0.001488
CH3CN Acetonitrile -132.318628 -132.320116 0.001488
CH3CN+ Acetonitrile cation -132.318628 -132.320116 0.001488
NH2CN cyanamide -148.778554 -148.780065 0.001510
CH2CH2OH 2-hydroxy ethyl radical -154.357301 -154.358833 0.001532
C- Carbon atom anion -37.842098 -37.843662 0.001564
C Carbon atom -37.842098 -37.843662 0.001564
C+ Carbon atom cation -37.842098 -37.843662 0.001564
P- Phosphorus atom anion -6.420385 -6.421964 0.001579
P Phosphorus atom -6.420385 -6.421964 0.001579
P+ Phosphorus atom cation -6.420385 -6.421964 0.001579
AlCl- aluminum monochloride anion -702.685662 -702.687341 0.001678
AlCl Aluminum monochloride -702.685662 -702.687341 0.001678
AlCl+ aluminum monochloride cation -702.685662 -702.687341 0.001678
C5H4O2 furfural -343.346346 -343.348030 0.001684
Al- Aluminum atom anion -241.042073 -241.043836 0.001763
Al Aluminum atom -241.042073 -241.043836 0.001763
Al+ Aluminum atom cation -241.042073 -241.043836 0.001763
HOCO Hydrocarboxyl radical -189.087830 -189.089753 0.001923
HOCO+ Hydrocarboxyl cation -189.087830 -189.089753 0.001923
C- Carbon atom anion -37.844272 -37.846280 0.002008
C Carbon atom -37.844272 -37.846280 0.002008
C+ Carbon atom cation -37.844272 -37.846280 0.002008
C- Carbon atom anion -37.844272 -37.846280 0.002008
C Carbon atom -37.844272 -37.846280 0.002008
C+ Carbon atom cation -37.844272 -37.846280 0.002008
Al- Aluminum atom anion -241.082322 -241.084342 0.002019
Al Aluminum atom -241.082322 -241.084342 0.002019
Al+ Aluminum atom cation -241.082322 -241.084342 0.002019
CH- methylidyne anion -38.479163 -38.481502 0.002339
CH Methylidyne -38.479163 -38.481502 0.002339
CH+ Methylidyne cation -38.479163 -38.481502 0.002339
OH- hydroxide anion -75.720774 -75.723454 0.002680
OH Hydroxyl radical -75.720774 -75.723454 0.002680
OH+ hydoxyl cation -75.720774 -75.723454 0.002680
LiF- lithium fluoride anion -107.417614 -107.420520 0.002906
LiF lithium fluoride -107.417614 -107.420520 0.002906
LiF+ lithium fluoride cation -107.417614 -107.420520 0.002906
Mg2- magnesium dimer anion -400.156059 -400.159224 0.003165
Mg2 Magnesium diatomic -400.156059 -400.159224 0.003165
Mg2+ magnesium dimer cation -400.156059 -400.159224 0.003165
LiO- lithium oxide anion -82.681264 -82.684448 0.003183
LiO lithium oxide -82.681264 -82.684448 0.003183
LiO+ lithium oxide cation -82.681264 -82.684448 0.003183
AlH- aluminum monohydride anion -242.979621 -242.983016 0.003395
AlH aluminum monohydride -242.979621 -242.983016 0.003395
AlH+ aluminum monohydride cation -242.979621 -242.983016 0.003395
C6H12 2-Hexene, (E)- -235.850919 -235.854341 0.003422
B- Boron atom anion -2.603576 -2.607029 0.003454
B Boron atom -2.603576 -2.607029 0.003454
B+ Boron atom cation -2.603576 -2.607029 0.003454
LiH- lithium hydride anion -8.081923 -8.085414 0.003491
LiH Lithium Hydride -8.081923 -8.085414 0.003491
LiH+ lithium hydride cation -8.081923 -8.085414 0.003491
Be- Beryllium atom anion -14.668942 -14.672447 0.003505
Be Beryllium atom -14.668942 -14.672447 0.003505
Be+ Beryllium atom cation -14.668942 -14.672447 0.003505
LiO- lithium oxide anion -82.684450 -82.688224 0.003774
LiO lithium oxide -82.684450 -82.688224 0.003774
LiO+ lithium oxide cation -82.684450 -82.688224 0.003774
C2H3 vinyl -77.582061 -77.586043 0.003982
C2H3+ vinyl cation -77.582061 -77.586043 0.003982
Mg- Magnesium atom anion -200.093210 -200.097752 0.004541
Mg Magnesium atom -200.093210 -200.097752 0.004541
Mg+ Magnesium atom cation -200.093210 -200.097752 0.004541
PF- phosphorus monofluoride anion -441.141751 -441.146425 0.004673
PF phosphorus monofluoride -441.141751 -441.146425 0.004673
PF+ phosphorus monofluoride cation -441.141751 -441.146425 0.004673
B2- Boron diatomic anion -49.408478 -49.413435 0.004958
B2 Boron diatomic -49.408478 -49.413435 0.004958
B2+ Boron diatomic cation -49.408478 -49.413435 0.004958
Ca- Calcium atom anion -677.570861 -677.575977 0.005116
Ca Calcium atom -677.570861 -677.575977 0.005116
Ca+ Calcium atom cation -677.570861 -677.575977 0.005116
Ca- Calcium atom anion -677.570861 -677.575977 0.005116
Ca Calcium atom -677.570861 -677.575977 0.005116
Ca+ Calcium atom cation -677.570861 -677.575977 0.005116
NaO- sodium oxide anion -237.426945 -237.432368 0.005423
NaO sodium monoxide -237.426945 -237.432368 0.005423
NaO+ sodium oxide cation -237.426945 -237.432368 0.005423
CH4 Methane -40.046350 -40.051986 0.005637
CH4+ Methane cation -40.046350 -40.051986 0.005637
Li- Lithium atom anion -7.490985 -7.496821 0.005836
Li Lithium atom -7.490985 -7.496821 0.005836
Li+ Lithium atom cation -7.490985 -7.496821 0.005836
Si2- silcon dimer anion -578.902011 -578.907951 0.005941
Si2 Silicon diatomic -578.902011 -578.907951 0.005941
Si2+ silcon dimer cation -578.902011 -578.907951 0.005941
C3H3- Propargyl anion -116.001281 -116.007375 0.006094
C3H3 Propargyl radical -116.001281 -116.007375 0.006094
C3H3+ Propargyl cation -116.001281 -116.007375 0.006094
C2H3NO3 Oxamic acid -358.455906 -358.462412 0.006506
LiO- lithium oxide anion -82.681264 -82.688224 0.006960
LiO lithium oxide -82.681264 -82.688224 0.006960
LiO+ lithium oxide cation -82.681264 -82.688224 0.006960
NF3- Nitrogen trifluoride anion -354.071263 -354.078444 0.007181
NF3 Nitrogen trifluoride -354.071263 -354.078444 0.007181
NF3+ Nitrogen trifluoride cation -354.071263 -354.078444 0.007181
O- Oxygen atom anion -75.052728 -75.060621 0.007893
O Oxygen atom -75.052728 -75.060621 0.007893
O+ Oxygen atom cation -75.052728 -75.060621 0.007893
O- Oxygen atom anion -75.052728 -75.060621 0.007893
O Oxygen atom -75.052728 -75.060621 0.007893
O+ Oxygen atom cation -75.052728 -75.060621 0.007893
Ca- Calcium atom anion -674.228708 -674.236817 0.008109
Ca Calcium atom -674.228708 -674.236817 0.008109
Ca+ Calcium atom cation -674.228708 -674.236817 0.008109
Ca- Calcium atom anion -36.542567 -36.550702 0.008134
Ca Calcium atom -36.542567 -36.550702 0.008134
Ca+ Calcium atom cation -36.542567 -36.550702 0.008134
Be- Beryllium atom anion -14.662226 -14.670745 0.008519
Be Beryllium atom -14.662226 -14.670745 0.008519
Be+ Beryllium atom cation -14.662226 -14.670745 0.008519
Mg- Magnesium atom anion -200.071002 -200.079544 0.008541
Mg Magnesium atom -200.071002 -200.079544 0.008541
Mg+ Magnesium atom cation -200.071002 -200.079544 0.008541
Ca- Calcium atom anion -674.212568 -674.221195 0.008627
Ca Calcium atom -674.212568 -674.221195 0.008627
Ca+ Calcium atom cation -674.212568 -674.221195 0.008627
O- Oxygen atom anion -75.049701 -75.058330 0.008629
O Oxygen atom -75.049701 -75.058330 0.008629
O+ Oxygen atom cation -75.049701 -75.058330 0.008629
Li2- lithium dimer anion -15.014261 -15.023147 0.008886
Li2 Lithium diatomic -15.014261 -15.023147 0.008886
Li2+ lithium diatomic cation -15.014261 -15.023147 0.008886
Ca- Calcium atom anion -677.528052 -677.537097 0.009045
Ca Calcium atom -677.528052 -677.537097 0.009045
Ca+ Calcium atom cation -677.528052 -677.537097 0.009045
Ca- Calcium atom anion -677.530047 -677.539234 0.009187
Ca Calcium atom -677.530047 -677.539234 0.009187
Ca+ Calcium atom cation -677.530047 -677.539234 0.009187
Al2- aluminum dimer anion -484.770697 -484.780173 0.009476
Al2 Aluminum diatomic -484.770697 -484.780173 0.009476
Al2+ aluminum dimer cation -484.770697 -484.780173 0.009476
O- Oxygen atom anion -75.055096 -75.064578 0.009482
O Oxygen atom -75.055096 -75.064578 0.009482
O+ Oxygen atom cation -75.055096 -75.064578 0.009482
Ca- Calcium atom anion -677.526749 -677.536242 0.009493
Ca Calcium atom -677.526749 -677.536242 0.009493
Ca+ Calcium atom cation -677.526749 -677.536242 0.009493
NF3- Nitrogen trifluoride anion -354.061683 -354.071311 0.009628
NF3 Nitrogen trifluoride -354.061683 -354.071311 0.009628
NF3+ Nitrogen trifluoride cation -354.061683 -354.071311 0.009628
C3H8O2 Methane, dimethoxy- -269.542453 -269.552262 0.009810
B- Boron atom anion -24.651653 -24.661869 0.010215
B Boron atom -24.651653 -24.661869 0.010215
B+ Boron atom cation -24.651653 -24.661869 0.010215
B- Boron atom anion -24.651653 -24.661869 0.010215
B Boron atom -24.651653 -24.661869 0.010215
B+ Boron atom cation -24.651653 -24.661869 0.010215
C6H12 Cyclohexane -235.870053 -235.880455 0.010402
HCS- Thioformyl anion -436.804175 -436.814634 0.010459
HCS Thioformyl radical -436.804175 -436.814634 0.010459
HCS+ Thioformyl cation -436.804175 -436.814634 0.010459
P- Phosphorus atom anion -341.258080 -341.268589 0.010510
P Phosphorus atom -341.258080 -341.268589 0.010510
P+ Phosphorus atom cation -341.258080 -341.268589 0.010510
C- Carbon atom anion -37.631928 -37.642696 0.010769
C Carbon atom -37.631928 -37.642696 0.010769
C+ Carbon atom cation -37.631928 -37.642696 0.010769
C- Carbon atom anion -37.631928 -37.642696 0.010769
C Carbon atom -37.631928 -37.642696 0.010769
C+ Carbon atom cation -37.631928 -37.642696 0.010769
SiF- silicon monofluoride anion -389.304278 -389.315244 0.010966
SiF silicon monofluoride -389.304278 -389.315244 0.010966
SiF+ silicon monofluoride cation -389.304278 -389.315244 0.010966
NaH- sodium hydride anion -162.852569 -162.863833 0.011263
NaH sodium hydride -162.852569 -162.863833 0.011263
NaH+ sodium hydride cation -162.852569 -162.863833 0.011263
BeN- Beryllium mononitride anion -69.314677 -69.326463 0.011786
BeN Beryllium mononitride -69.314677 -69.326463 0.011786
BeN+ Beryllium mononitride cation -69.314677 -69.326463 0.011786
HCS- Thioformyl anion -436.802725 -436.814634 0.011909
HCS Thioformyl radical -436.802725 -436.814634 0.011909
HCS+ Thioformyl cation -436.802725 -436.814634 0.011909
B- Boron atom anion -24.648948 -24.660872 0.011924
B Boron atom -24.648948 -24.660872 0.011924
B+ Boron atom cation -24.648948 -24.660872 0.011924
HO2- Hydroperoxy anion -150.886985 -150.899157 0.012173
HO2 Hydroperoxy radical -150.886985 -150.899157 0.012173
HO2+ Hydroperoxy cation -150.886985 -150.899157 0.012173
SiS- silicon monosulfide anion -687.695073 -687.707625 0.012552
SiS silicon monosulfide -687.695073 -687.707625 0.012552
SiS+ silicon monosulfide cation -687.695073 -687.707625 0.012552
H- Hydrogen atom anion -0.488690 -0.501258 0.012568
H Hydrogen atom -0.488690 -0.501258 0.012568
H+ Hydrogen atom cation -0.488690 -0.501258 0.012568
ZnCH2 Zinc methylene -1818.293819 -1818.306396 0.012577
NaLi- lithium sodium anion -169.800450 -169.813264 0.012814
NaLi lithium sodium -169.800450 -169.813264 0.012814
NaLi+ lithium sodium cation -169.800450 -169.813264 0.012814
HNO- Nitrosyl hydride anion -130.455002 -130.468131 0.013129
HNO Nitrosyl hydride -130.455002 -130.468131 0.013129
HNO+ Nitrosyl hydride cation -130.455002 -130.468131 0.013129
CS- carbon monosulfide anion -436.195940 -436.209303 0.013363
CS carbon monosulfide -436.195940 -436.209303 0.013363
CS+ carbon monosulfide cation -436.195940 -436.209303 0.013363
H2CO- formaldehyde anion -114.538273 -114.552147 0.013874
H2CO Formaldehyde -114.538273 -114.552147 0.013874
H2CO+ formaldehyde cation -114.538273 -114.552147 0.013874
PN- phosphorus nitride anion -396.047404 -396.061830 0.014426
PN Phosphorus mononitride -396.047404 -396.061830 0.014426
PN+ phosphorus nitride cation -396.047404 -396.061830 0.014426
BeN- Beryllium mononitride anion -69.326464 -69.341449 0.014985
BeN Beryllium mononitride -69.326464 -69.341449 0.014985
BeN+ Beryllium mononitride cation -69.326464 -69.341449 0.014985
P2- phosphorus dimer anion -682.688943 -682.703994 0.015051
P2 Phosphorus diatomic -682.688943 -682.703994 0.015051
P2+ phosphorus dimer cation -682.688943 -682.703994 0.015051
Na2- sodium dimer anion -324.586915 -324.602070 0.015156
Na2 Sodium diatomic -324.586915 -324.602070 0.015156
Na2+ sodium dimer cation -324.586915 -324.602070 0.015156
O- Oxygen atom anion -75.053263 -75.068497 0.015234
O Oxygen atom -75.053263 -75.068497 0.015234
O+ Oxygen atom cation -75.053263 -75.068497 0.015234
SO3- Sulfur trioxide anion -623.759192 -623.774699 0.015507
SO3 Sulfur trioxide -623.759192 -623.774699 0.015507
SO3+ Sulfur trioxide cation -623.759192 -623.774699 0.015507
NaF- sodium fluoride anion -262.157453 -262.173243 0.015790
NaF sodium fluoride -262.157453 -262.173243 0.015790
NaF+ sodium fluoride cation -262.157453 -262.173243 0.015790
BeCl- beryllium monochloride anion -474.956152 -474.971945 0.015793
BeCl beryllium chloride -474.956152 -474.971945 0.015793
BeCl+ beryllium monochloride cation -474.956152 -474.971945 0.015793
H2O- water anion -76.450001 -76.466198 0.016198
H2O Water -76.450001 -76.466198 0.016198
H2O+ water cation -76.450001 -76.466198 0.016198
Na- Sodium atom anion -162.279880 -162.296219 0.016339
Na Sodium atom -162.279880 -162.296219 0.016339
Na+ Sodium atom cation -162.279880 -162.296219 0.016339
K- Potassium atom anion -599.890422 -599.906985 0.016563
K Potassium atom -599.890422 -599.906985 0.016563
K+ Potassium atom cation -599.890422 -599.906985 0.016563
NS- nitrogen sulfide anion -452.842048 -452.858657 0.016609
NS Mononitrogen monosulfide -452.842048 -452.858657 0.016609
NS+ nitrogen sulfide cation -452.842048 -452.858657 0.016609
NF3- Nitrogen trifluoride anion -354.061683 -354.078444 0.016761
NF3 Nitrogen trifluoride -354.061683 -354.078444 0.016761
NF3+ Nitrogen trifluoride cation -354.061683 -354.078444 0.016761
Mg- Magnesium atom anion -0.806132 -0.822962 0.016830
Mg Magnesium atom -0.806132 -0.822962 0.016830
Mg+ Magnesium atom cation -0.806132 -0.822962 0.016830
PH- phosphorus monohydride anion -341.877168 -341.894437 0.017270
PH phosphorus monohydride -341.877168 -341.894437 0.017270
PH+ phosphorus monohydride cation -341.877168 -341.894437 0.017270
LiBr- lithium bromide cation -2579.313617 -2579.331025 0.017407
LiBr Lithium Bromide -2579.313617 -2579.331025 0.017407
LiBr+ lithium bromide anion -2579.313617 -2579.331025 0.017407
LiCl- lithium chloride anion -467.796285 -467.814177 0.017892
LiCl lithium chloride -467.796285 -467.814177 0.017892
LiCl+ lithium chloride cation -467.796285 -467.814177 0.017892
PS- phosphorus monosulfide anion -739.517318 -739.535467 0.018149
PS phosphorus sulfide -739.517318 -739.535467 0.018149
PS+ phosphorus monosulfide cation -739.517318 -739.535467 0.018149
HCF Fluoromethylene -138.397225 -138.415962 0.018737
HCF Fluoromethylene -138.380563 -138.399896 0.019333
SO- sulfur monoxide anion -473.352481 -473.371958 0.019477
SO Sulfur monoxide -473.352481 -473.371958 0.019477
SO+ sulfur monoxide cation -473.352481 -473.371958 0.019477
BeH- berylium monohydride anion -15.241480 -15.261042 0.019562
BeH beryllium monohydride -15.241480 -15.261042 0.019562
BeH+ beryllium monohydride cation -15.241480 -15.261042 0.019562
Mg- Magnesium atom anion -200.078007 -200.097699 0.019692
Mg Magnesium atom -200.078007 -200.097699 0.019692
Mg+ Magnesium atom cation -200.078007 -200.097699 0.019692
O2- oxygen diatomic anion -150.299694 -150.320040 0.020346
O2 Oxygen diatomic -150.299694 -150.320040 0.020346
O2+ diatomic oxygen cation -150.299694 -150.320040 0.020346
SiO- silicon monoxide anion -364.699296 -364.720016 0.020720
SiO Silicon monoxide -364.699296 -364.720016 0.020720
SiO+ silicon monoxide cation -364.699296 -364.720016 0.020720
PO- phosphorus monoxide anion -416.530558 -416.551363 0.020805
PO Phosphorus monoxide -416.530558 -416.551363 0.020805
PO+ phosphorus monoxide cation -416.530558 -416.551363 0.020805
CH2- methylene anion -39.128901 -39.150019 0.021118
CH2 Methylene -39.128901 -39.150019 0.021118
CH2+ methylene cation -39.128901 -39.150019 0.021118
Be- Beryllium atom anion -0.978852 -1.000027 0.021174
Be Beryllium atom -0.978852 -1.000027 0.021174
Be+ Beryllium atom cation -0.978852 -1.000027 0.021174
CF3- Trifluoromethyl anion -337.550988 -337.572549 0.021561
CF3 Trifluoromethyl radical -337.550988 -337.572549 0.021561
CF3+ Trifluoromethyl cation -337.550988 -337.572549 0.021561
CH3O- methoxy anion -115.050462 -115.072091 0.021629
CH3O Methoxy radical -115.050462 -115.072091 0.021629
CH2- methylene anion -39.128249 -39.150019 0.021769
CH2 Methylene -39.128249 -39.150019 0.021769
CH2+ methylene cation -39.128249 -39.150019 0.021769
Be- Beryllium atom anion -14.650667 -14.672445 0.021777
Be Beryllium atom -14.650667 -14.672445 0.021777
Be+ Beryllium atom cation -14.650667 -14.672445 0.021777
AlH3- aluminum trihydride anion -243.793739 -243.815577 0.021838
AlH3 aluminum trihydride -243.793739 -243.815577 0.021838
AlH3+ aluminum trihydride cation -243.793739 -243.815577 0.021838
MgH- magnesium monohydride anion -200.632219 -200.654102 0.021883
MgH magnesium monohydride -200.632219 -200.654102 0.021883
MgH+ magnesium monohydride cation -200.632219 -200.654102 0.021883
Mg- Magnesium atom anion -200.071121 -200.093093 0.021972
Mg Magnesium atom -200.071121 -200.093093 0.021972
Mg+ Magnesium atom cation -200.071121 -200.093093 0.021972
Mg- Magnesium atom anion -200.071121 -200.093093 0.021972
Mg Magnesium atom -200.071121 -200.093093 0.021972
Mg+ Magnesium atom cation -200.071121 -200.093093 0.021972
NO- nitric oxide anion -129.865755 -129.888155 0.022400
NO Nitric oxide -129.865755 -129.888155 0.022400
NO+ nitric oxide cation -129.865755 -129.888155 0.022400
BCl- boron monochloride anion -484.955636 -484.978339 0.022703
BCl boron monochloride -484.955636 -484.978339 0.022703
BCl+ boron monochloride cation -484.955636 -484.978339 0.022703
CF- carbon monofluoride anion -137.753845 -137.776960 0.023115
CF Fluoromethylidyne -137.753845 -137.776960 0.023115
CF+ carbon monofluoride cation -137.753845 -137.776960 0.023115
HCO- formyl anion -113.826477 -113.850170 0.023693
HCO Formyl radical -113.826477 -113.850170 0.023693
HCO+ Formyl cation -113.826477 -113.850170 0.023693
Be2- Beryllium dimer anion -29.318090 -29.342172 0.024082
Be2 Beryllium diatomic -29.318090 -29.342172 0.024082
Be2+ Beryllium diatomic cation -29.318090 -29.342172 0.024082
ZnCH2 Zinc methylene -1818.269670 -1818.293774 0.024104
PH2- Phosphino anion -342.504213 -342.528610 0.024396
PH2 Phosphino radical -342.504213 -342.528610 0.024396
PH2+ Phosphino cation -342.504213 -342.528610 0.024396
AlF- Aluminum monofluoride anion -342.308827 -342.334155 0.025328
AlF Aluminum monofluoride -342.308827 -342.334155 0.025328
AlF+ Aluminum monofluoride cation -342.308827 -342.334155 0.025328
Be- Beryllium atom anion -14.644880 -14.670226 0.025347
Be Beryllium atom -14.644880 -14.670226 0.025347
Be+ Beryllium atom cation -14.644880 -14.670226 0.025347
Ge2 Germanium dimer -4149.882802 -4149.908917 0.026114
SeO- selenium monoxide anion -2474.535292 -2474.561826 0.026534
SeO Selenium monoxide -2474.535292 -2474.561826 0.026534
SeO+ selenium monoxide cation -2474.535292 -2474.561826 0.026534
Mg- Magnesium atom anion -200.052210 -200.078898 0.026689
Mg Magnesium atom -200.052210 -200.078898 0.026689
Mg+ Magnesium atom cation -200.052210 -200.078898 0.026689
CF2- Difluoromethylene anion -237.663065 -237.689779 0.026714
CF2 Difluoromethylene -237.663065 -237.689779 0.026714
CF2+ Difluoromethylene cation -237.663065 -237.689779 0.026714
BeN- Beryllium mononitride anion -69.314677 -69.341449 0.026772
BeN Beryllium mononitride -69.314677 -69.341449 0.026772
BeN+ Beryllium mononitride cation -69.314677 -69.341449 0.026772
Mg- Magnesium atom anion -200.064339 -200.091157 0.026817
Mg Magnesium atom -200.064339 -200.091157 0.026817
Mg+ Magnesium atom cation -200.064339 -200.091157 0.026817
Be- Beryllium atom anion -14.644146 -14.671184 0.027039
Be Beryllium atom -14.644146 -14.671184 0.027039
Be+ Beryllium atom cation -14.644146 -14.671184 0.027039
Be- Beryllium atom anion -14.644146 -14.671184 0.027039
Be Beryllium atom -14.644146 -14.671184 0.027039
Be+ Beryllium atom cation -14.644146 -14.671184 0.027039
CCl- carbon monochloride anion -498.131258 -498.158744 0.027486
CCl carbon monochloride -498.131258 -498.158744 0.027486
CCl+ carbon monochloride cation -498.131258 -498.158744 0.027486
NaBr- sodium bromide anion -2734.077945 -2734.105518 0.027573
NaBr Sodium Bromide -2734.077945 -2734.105518 0.027573
NaBr+ sodium bromide cation -2734.077945 -2734.105518 0.027573
Mg- Magnesium atom anion -200.051699 -200.079359 0.027660
Mg Magnesium atom -200.051699 -200.079359 0.027660
Mg+ Magnesium atom cation -200.051699 -200.079359 0.027660
Mg- Magnesium atom anion -200.051699 -200.079359 0.027660
Mg Magnesium atom -200.051699 -200.079359 0.027660
Mg+ Magnesium atom cation -200.051699 -200.079359 0.027660
NaCl- sodium chloride anion -622.560344 -622.588444 0.028100
NaCl Sodium Chloride -622.560344 -622.588444 0.028100
NaCl+ sodium chloride cation -622.560344 -622.588444 0.028100
Mg- Magnesium atom anion -200.049620 -200.077940 0.028320
Mg Magnesium atom -200.049620 -200.077940 0.028320
Mg+ Magnesium atom cation -200.049620 -200.077940 0.028320
B- Boron atom anion -24.490291 -24.518629 0.028337
B Boron atom -24.490291 -24.518629 0.028337
B+ Boron atom cation -24.490291 -24.518629 0.028337
B- Boron atom anion -24.490291 -24.518629 0.028337
B Boron atom -24.490291 -24.518629 0.028337
B+ Boron atom cation -24.490291 -24.518629 0.028337
Mg- Magnesium atom anion -0.791494 -0.819916 0.028421
Mg Magnesium atom -0.791494 -0.819916 0.028421
Mg+ Magnesium atom cation -0.791494 -0.819916 0.028421
SO2- Sulfur dioxide anion -548.587479 -548.616893 0.029414
SO2 Sulfur dioxide -548.587479 -548.616893 0.029414
SO2+ Sulfur dioxide cation -548.587479 -548.616893 0.029414
Mg- Magnesium atom anion -198.923668 -198.953115 0.029447
Mg Magnesium atom -198.923668 -198.953115 0.029447
Mg+ Magnesium atom cation -198.923668 -198.953115 0.029447
N- Nitrogen atom anion -54.572267 -54.601781 0.029514
N Nitrogen atom -54.572267 -54.601781 0.029514
N+ Nitrogen atom cation -54.572267 -54.601781 0.029514
SiH2- silicon dihydride anion -290.613149 -290.642924 0.029775
SiH2 silicon dihydride -290.613149 -290.642924 0.029775
SiH2+ silicon dihydride cation -290.613149 -290.642924 0.029775
Mg- Magnesium atom anion -198.902383 -198.932351 0.029968
Mg Magnesium atom -198.902383 -198.932351 0.029968
Mg+ Magnesium atom cation -198.902383 -198.932351 0.029968
AlH2- aluminum dihydride anion -243.566409 -243.596496 0.030087
AlH2 aluminum dihydride -243.566409 -243.596496 0.030087
AlH2+ aluminum dihydride cation -243.566409 -243.596496 0.030087
BC- boron monocarbide anion -62.678411 -62.708820 0.030409
BC boron monocarbide -62.678411 -62.708820 0.030409
BC+ boron monocarbide cation -62.678411 -62.708820 0.030409
Be- Beryllium atom anion -14.640531 -14.671191 0.030660
Be Beryllium atom -14.640531 -14.671191 0.030660
Be+ Beryllium atom cation -14.640531 -14.671191 0.030660
NH2- amino anion -55.840836 -55.872620 0.031784
NH2 Amino radical -55.840836 -55.872620 0.031784
NH2+ Amino cation -55.840836 -55.872620 0.031784
SiH2- silicon dihydride anion -290.585332 -290.617235 0.031903
SiH2 silicon dihydride -290.585332 -290.617235 0.031903
SiH2+ silicon dihydride cation -290.585332 -290.617235 0.031903
SiH2- silicon dihydride anion -290.581143 -290.613144 0.032001
SiH2 silicon dihydride -290.581143 -290.613144 0.032001
SiH2+ silicon dihydride cation -290.581143 -290.613144 0.032001
CH- methylidyne anion -38.446615 -38.479163 0.032548
CH Methylidyne -38.446615 -38.479163 0.032548
CH+ Methylidyne cation -38.446615 -38.479163 0.032548
PCl- phosphorus monochloride anion -801.511590 -801.544233 0.032642
PCl phosphorus chloride -801.511590 -801.544233 0.032642
PCl+ phosphorus monochloride cation -801.511590 -801.544233 0.032642
SiH- silicon monohydride anion -289.988638 -290.021473 0.032835
SiH Silylidyne -289.988638 -290.021473 0.032835
SiH+ silicon monohydride cation -289.988638 -290.021473 0.032835
HCl- hydrogen chloride anion -460.762791 -460.795696 0.032905
HCl Hydrogen chloride -460.762791 -460.795696 0.032905
HCl+ hydrogen chloride cation -460.762791 -460.795696 0.032905
N- Nitrogen atom anion -9.718799 -9.751729 0.032930
N Nitrogen atom -9.718799 -9.751729 0.032930
N+ Nitrogen atom cation -9.718799 -9.751729 0.032930
NF- nitrogen monofluorine anion -154.402719 -154.435924 0.033206
NF nitrogen fluoride -154.402719 -154.435924 0.033206
NF+ nitrogen monofluoirde cation -154.402719 -154.435924 0.033206
NS- nitrogen sulfide anion -452.858661 -452.892851 0.034189
NS Mononitrogen monosulfide -452.858661 -452.892851 0.034189
NS+ nitrogen sulfide cation -452.858661 -452.892851 0.034189
BH3- boron trihydride anion -26.135238 -26.169608 0.034370
BH3 boron trihydride -26.135238 -26.169608 0.034370
BH3+ boron trihydride cation -26.135238 -26.169608 0.034370
PS- phosphorus monosulfide anion -739.535455 -739.570237 0.034782
PS phosphorus sulfide -739.535455 -739.570237 0.034782
PS+ phosphorus monosulfide cation -739.535455 -739.570237 0.034782
Si- Silicon atom anion -289.371734 -289.406523 0.034789
Si Silicon atom -289.371734 -289.406523 0.034789
Si+ Silicon atom cation -289.371734 -289.406523 0.034789
CH- methylidyne anion -38.446615 -38.481502 0.034887
CH Methylidyne -38.446615 -38.481502 0.034887
CH+ Methylidyne cation -38.446615 -38.481502 0.034887
FO- flourine oxide anion -174.869582 -174.905340 0.035757
FO Oxygen monofluoride -174.869582 -174.905340 0.035757
FO+ fluorine monoxide cation -174.869582 -174.905340 0.035757
C2- carbon diatomic anion -75.882402 -75.918384 0.035982
C2 Carbon diatomic -75.882402 -75.918384 0.035982
C2+ carbon diatomic cation -75.882402 -75.918384 0.035982
BH- boron monohydride anion -25.251457 -25.287892 0.036436
BH Boron monohydride -25.251457 -25.287892 0.036436
BH+ boron monohydride cation -25.251457 -25.287892 0.036436
N- Nitrogen atom anion -54.559399 -54.595988 0.036588
N Nitrogen atom -54.559399 -54.595988 0.036588
N+ Nitrogen atom cation -54.559399 -54.595988 0.036588
ZnCH2 Zinc methylene -1818.269670 -1818.306396 0.036727
F- Fluorine atom anion -99.718730 -99.755642 0.036911
F Fluorine atom -99.718730 -99.755642 0.036911
F+ Fluorine atom cation -99.718730 -99.755642 0.036911
S2- sulfur dimer anion -796.325974 -796.362890 0.036916
S2 Sulfur diatomic -796.325974 -796.362890 0.036916
S2+ sulfur dimer cation -796.325974 -796.362890 0.036916
BH3- boron trihydride anion -26.576083 -26.613000 0.036917
BH3 boron trihydride -26.576083 -26.613000 0.036917
BH3+ boron trihydride cation -26.576083 -26.613000 0.036917
SiP- Silicon monophosphide anion -630.398746 -630.435886 0.037140
SiP Silicon monophosphide -630.398746 -630.435886 0.037140
SiP+ Silicon monophosphide cation -630.398746 -630.435886 0.037140
H- Hydrogen atom anion -0.461817 -0.500273 0.038456
H Hydrogen atom -0.461817 -0.500273 0.038456
H+ Hydrogen atom cation -0.461817 -0.500273 0.038456
H- Hydrogen atom anion -0.461817 -0.500273 0.038456
H Hydrogen atom -0.461817 -0.500273 0.038456
H+ Hydrogen atom cation -0.461817 -0.500273 0.038456
H- Hydrogen atom anion -0.461817 -0.500273 0.038456
H Hydrogen atom -0.461817 -0.500273 0.038456
H+ Hydrogen atom cation -0.461817 -0.500273 0.038456
H- Hydrogen atom anion -0.461817 -0.500273 0.038456
H Hydrogen atom -0.461817 -0.500273 0.038456
H+ Hydrogen atom cation -0.461817 -0.500273 0.038456
H- Hydrogen atom anion -0.461817 -0.500273 0.038456
H Hydrogen atom -0.461817 -0.500273 0.038456
H+ Hydrogen atom cation -0.461817 -0.500273 0.038456
F- Fluorine atom anion -99.715531 -99.754088 0.038558
F Fluorine atom -99.715531 -99.754088 0.038558
F+ Fluorine atom cation -99.715531 -99.754088 0.038558
F- Fluorine atom anion -99.715531 -99.754088 0.038558
F Fluorine atom -99.715531 -99.754088 0.038558
F+ Fluorine atom cation -99.715531 -99.754088 0.038558
HNS- HNS- -453.463228 -453.502546 0.039318
HNS HNS -453.463228 -453.502546 0.039318
F- Fluorine atom anion -99.713645 -99.752968 0.039323
F Fluorine atom -99.713645 -99.752968 0.039323
F+ Fluorine atom cation -99.713645 -99.752968 0.039323
B- Boron atom anion -24.613271 -24.652814 0.039543
B Boron atom -24.613271 -24.652814 0.039543
B+ Boron atom cation -24.613271 -24.652814 0.039543
SiH3- silyl anion -291.232268 -291.271838 0.039570
SiH3 silyl -291.232268 -291.271838 0.039570
SiH3+ silyl cation -291.232268 -291.271838 0.039570
B- Boron atom anion -24.614574 -24.654354 0.039780
B Boron atom -24.614574 -24.654354 0.039780
B+ Boron atom cation -24.614574 -24.654354 0.039780
B- Boron atom anion -24.614574 -24.654354 0.039780
B Boron atom -24.614574 -24.654354 0.039780
B+ Boron atom cation -24.614574 -24.654354 0.039780
SiCl- silicon monochloride anion -749.661192 -749.701011 0.039819
SiCl Clorosilylidyne -749.661192 -749.701011 0.039819
SiCl+ silicon monochloride cation -749.661192 -749.701011 0.039819
B2- Boron diatomic anion -49.373253 -49.413435 0.040182
B2 Boron diatomic -49.373253 -49.413435 0.040182
B2+ Boron diatomic cation -49.373253 -49.413435 0.040182
NF- nitrogen monofluorine anion -154.362056 -154.402732 0.040676
NF nitrogen fluoride -154.362056 -154.402732 0.040676
NF+ nitrogen monofluoirde cation -154.362056 -154.402732 0.040676
CH4 Methane -40.005233 -40.046349 0.041117
CH4+ Methane cation -40.005233 -40.046349 0.041117
MgF- magnesium fluoride anion -299.957640 -299.998821 0.041181
MgF Magnesium monofluoride -299.957640 -299.998821 0.041181
MgF+ magnesium fluoride cation -299.957640 -299.998821 0.041181
Si2- silcon dimer anion -578.815312 -578.856539 0.041227
Si2 Silicon diatomic -578.815312 -578.856539 0.041227
Si2+ silcon dimer cation -578.815312 -578.856539 0.041227
NH- Imidogen anion -55.134223 -55.176290 0.042067
NH Imidogen -55.134223 -55.176290 0.042067
NH+ imidogen cation -55.134223 -55.176290 0.042067
NH- Imidogen anion -55.176290 -55.219438 0.043148
NH Imidogen -55.176290 -55.219438 0.043148
NH+ imidogen cation -55.176290 -55.219438 0.043148
F- Fluorine atom anion -99.726599 -99.769792 0.043193
F Fluorine atom -99.726599 -99.769792 0.043193
F+ Fluorine atom cation -99.726599 -99.769792 0.043193
N- Nitrogen atom anion -54.554788 -54.598543 0.043755
N Nitrogen atom -54.554788 -54.598543 0.043755
N+ Nitrogen atom cation -54.554788 -54.598543 0.043755
N- Nitrogen atom anion -54.554788 -54.598543 0.043755
N Nitrogen atom -54.554788 -54.598543 0.043755
N+ Nitrogen atom cation -54.554788 -54.598543 0.043755
B2- Boron diatomic anion -49.413435 -49.457342 0.043907
B2 Boron diatomic -49.413435 -49.457342 0.043907
B2+ Boron diatomic cation -49.413435 -49.457342 0.043907
BC- boron monocarbide anion -62.220705 -62.265607 0.044903
BC boron monocarbide -62.220705 -62.265607 0.044903
BC+ boron monocarbide cation -62.220705 -62.265607 0.044903
Be- Beryllium atom anion -14.538579 -14.583841 0.045262
Be Beryllium atom -14.538579 -14.583841 0.045262
Be+ Beryllium atom cation -14.538579 -14.583841 0.045262
Be- Beryllium atom anion -14.538579 -14.583841 0.045262
Be Beryllium atom -14.538579 -14.583841 0.045262
Be+ Beryllium atom cation -14.538579 -14.583841 0.045262
Cu- Copper atom anion -1640.127090 -1640.172435 0.045345
Cu Copper atom -1640.127090 -1640.172435 0.045345
Cu+ Copper atom cation -1640.127090 -1640.172435 0.045345
Cu- Copper atom anion -1640.127090 -1640.172742 0.045652
Cu Copper atom -1640.127090 -1640.172742 0.045652
Cu+ Copper atom cation -1640.127090 -1640.172742 0.045652
PCl- phosphorus monochloride anion -801.464897 -801.511586 0.046689
PCl phosphorus chloride -801.464897 -801.511586 0.046689
PCl+ phosphorus monochloride cation -801.464897 -801.511586 0.046689
SCl- sulfur monochloride anion -857.934342 -857.981062 0.046720
SCl sulfur monochloride -857.934342 -857.981062 0.046720
SCl+ sulfur monochloride cation -857.934342 -857.981062 0.046720
Cu- Copper atom anion -1640.127090 -1640.173837 0.046747
Cu Copper atom -1640.127090 -1640.173837 0.046747
Cu+ Copper atom cation -1640.127090 -1640.173837 0.046747
CH4 Methane -40.005233 -40.051986 0.046754
CH4+ Methane cation -40.005233 -40.051986 0.046754
SO- sulfur monoxide anion -473.305734 -473.352491 0.046756
SO Sulfur monoxide -473.305734 -473.352491 0.046756
SO+ sulfur monoxide cation -473.305734 -473.352491 0.046756
AsF Arsenic monofluoride -2333.508656 -2333.555734 0.047079
CH3- methyl anion -39.790295 -39.838292 0.047997
CH3 Methyl radical -39.790295 -39.838292 0.047997
CH3+ methyl cation -39.790295 -39.838292 0.047997
NO2- Nitrogen dioxide anion -205.072205 -205.120392 0.048187
NO2 Nitrogen dioxide -205.072205 -205.120392 0.048187
NO2+ Nitrogen dioxide cation -205.072205 -205.120392 0.048187
ClO- chlorine monoxide anion -535.292266 -535.340909 0.048644
ClO Monochlorine monoxide -535.292266 -535.340909 0.048644
ClO+ chlorine monoxide cation -535.292266 -535.340909 0.048644
B2- Boron diatomic anion -49.408478 -49.457342 0.048865
B2 Boron diatomic -49.408478 -49.457342 0.048865
B2+ Boron diatomic cation -49.408478 -49.457342 0.048865
PF- phosphorus monofluoride anion -441.092434 -441.141709 0.049275
PF phosphorus monofluoride -441.092434 -441.141709 0.049275
PF+ phosphorus monofluoride cation -441.092434 -441.141709 0.049275
CO2- Carbon dioxide anion -188.531443 -188.580939 0.049496
CO2 Carbon dioxide -188.531443 -188.580939 0.049496
CO2+ Carbon dioxide cation -188.531443 -188.580939 0.049496
Al2- aluminum dimer anion -484.780176 -484.829734 0.049558
Al2 Aluminum diatomic -484.780176 -484.829734 0.049558
Al2+ aluminum dimer cation -484.780176 -484.829734 0.049558
CP- carbon monophosphide anion -378.848226 -378.897891 0.049666
CP Carbon monophosphide -378.848226 -378.897891 0.049666
CP+ carbon monophosphide cation -378.848226 -378.897891 0.049666
NS- nitrogen sulfide anion -452.842048 -452.892851 0.050802
NS Mononitrogen monosulfide -452.842048 -452.892851 0.050802
NS+ nitrogen sulfide cation -452.842048 -452.892851 0.050802
BC- boron monocarbide anion -62.627134 -62.678412 0.051278
BC boron monocarbide -62.627134 -62.678412 0.051278
BC+ boron monocarbide cation -62.627134 -62.678412 0.051278
Ar- Argon atom anion -526.936877 -526.988392 0.051516
Ar Argon atom -526.936877 -526.988392 0.051516
Ar+ Argon atom cation -526.936877 -526.988392 0.051516
Se2- selenium dimer anion -4798.760614 -4798.812374 0.051760
Se2 Selenium diatomic -4798.760614 -4798.812374 0.051760
Se2+ selenium dimer cation -4798.760614 -4798.812374 0.051760
C2- carbon diatomic anion -75.435845 -75.487987 0.052142
C2 Carbon diatomic -75.435845 -75.487987 0.052142
C2+ carbon diatomic cation -75.435845 -75.487987 0.052142
NH2- amino anion -55.410215 -55.462770 0.052555
NH2 Amino radical -55.410215 -55.462770 0.052555
NH2+ Amino cation -55.410215 -55.462770 0.052555
PS- phosphorus monosulfide anion -739.517318 -739.570237 0.052919
PS phosphorus sulfide -739.517318 -739.570237 0.052919
PS+ phosphorus monosulfide cation -739.517318 -739.570237 0.052919
SeS- selenium monosulfide anion -2797.560631 -2797.613694 0.053063
SeS Selenium monosulfide -2797.560631 -2797.613694 0.053063
SeS+ selenium monosulfide cation -2797.560631 -2797.613694 0.053063
Se- Selenium atom anion -2399.306135 -2399.359275 0.053140
Se Selenium atom -2399.306135 -2399.359275 0.053140
Se+ Selenium atom cation -2399.306135 -2399.359275 0.053140
PH- phosphorus monohydride anion -341.823868 -341.877171 0.053303
PH phosphorus monohydride -341.823868 -341.877171 0.053303
PH+ phosphorus monohydride cation -341.823868 -341.877171 0.053303
S2- sulfur dimer anion -796.362880 -796.416251 0.053371
S2 Sulfur diatomic -796.362880 -796.416251 0.053371
S2+ sulfur dimer cation -796.362880 -796.416251 0.053371
Be- Beryllium atom anion -14.615374 -14.668937 0.053563
Be Beryllium atom -14.615374 -14.668937 0.053563
Be+ Beryllium atom cation -14.615374 -14.668937 0.053563
PF- phosphorus monofluoride anion -441.092434 -441.146425 0.053991
PF phosphorus monofluoride -441.092434 -441.146425 0.053991
PF+ phosphorus monofluoride cation -441.092434 -441.146425 0.053991
MgCl- magnesium monochloride anion -660.328689 -660.382948 0.054259
MgCl magnesium monochloride -660.328689 -660.382948 0.054259
MgCl+ magnesium monochloride cation -660.328689 -660.382948 0.054259
Be- Beryllium atom anion -14.613778 -14.668443 0.054665
Be Beryllium atom -14.613778 -14.668443 0.054665
Be+ Beryllium atom cation -14.613778 -14.668443 0.054665
Be- Beryllium atom anion -14.613778 -14.668443 0.054665
Be Beryllium atom -14.613778 -14.668443 0.054665
Be+ Beryllium atom cation -14.613778 -14.668443 0.054665
H- Hydrogen atom anion -0.443957 -0.498911 0.054954
H Hydrogen atom -0.443957 -0.498911 0.054954
H+ Hydrogen atom cation -0.443957 -0.498911 0.054954
CCl2- dichloromethylene anion -958.383064 -958.438318 0.055254
CCl2 dichloromethylene -958.383064 -958.438318 0.055254
CCl2+ dichloromethylene cation -958.383064 -958.438318 0.055254
Be- Beryllium atom anion -14.612776 -14.668063 0.055287
Be Beryllium atom -14.612776 -14.668063 0.055287
Be+ Beryllium atom cation -14.612776 -14.668063 0.055287
N- Nitrogen atom anion -54.528347 -54.583861 0.055514
N Nitrogen atom -54.528347 -54.583861 0.055514
N+ Nitrogen atom cation -54.528347 -54.583861 0.055514
NO- nitric oxide anion -129.810172 -129.865751 0.055579
NO Nitric oxide -129.810172 -129.865751 0.055579
NO+ nitric oxide cation -129.810172 -129.865751 0.055579
N- Nitrogen atom anion -54.528641 -54.584489 0.055848
N Nitrogen atom -54.528641 -54.584489 0.055848
N+ Nitrogen atom cation -54.528641 -54.584489 0.055848
N- Nitrogen atom anion -54.528641 -54.584489 0.055848
N Nitrogen atom -54.528641 -54.584489 0.055848
N+ Nitrogen atom cation -54.528641 -54.584489 0.055848
BO- boron monoxide anion -100.024135 -100.080526 0.056391
BO boron monoxide -100.024135 -100.080526 0.056391
BO+ boron monoxide cation -100.024135 -100.080526 0.056391
CF2- Difluoromethylene anion -237.606542 -237.663063 0.056520
CF2 Difluoromethylene -237.606542 -237.663063 0.056520
CF2+ Difluoromethylene cation -237.606542 -237.663063 0.056520
AlN- aluminum mononitride anion -297.046208 -297.102972 0.056764
AlN Aluminum nitride -297.046208 -297.102972 0.056764
AlN+ aluminum mononitride cation -297.046208 -297.102972 0.056764
ClO- chlorine monoxide anion -534.836828 -534.893991 0.057162
ClO Monochlorine monoxide -534.836828 -534.893991 0.057162
ClO+ chlorine monoxide cation -534.836828 -534.893991 0.057162
SO3- Sulfur trioxide anion -623.774691 -623.831910 0.057220
SO3 Sulfur trioxide -623.774691 -623.831910 0.057220
SO3+ Sulfur trioxide cation -623.774691 -623.831910 0.057220
SF- sulfur monofluoride anion -497.520440 -497.578359 0.057919
SF Monosulfur monofluoride -497.520440 -497.578359 0.057919
SF+ sulfur monofluoride cation -497.520440 -497.578359 0.057919
N- Nitrogen atom anion -54.524924 -54.582875 0.057951
N Nitrogen atom -54.524924 -54.582875 0.057951
N+ Nitrogen atom cation -54.524924 -54.582875 0.057951
H- Hydrogen atom anion -0.438966 -0.497311 0.058346
H Hydrogen atom -0.438966 -0.497311 0.058346
H+ Hydrogen atom cation -0.438966 -0.497311 0.058346
H- Hydrogen atom anion -0.438966 -0.497311 0.058346
H Hydrogen atom -0.438966 -0.497311 0.058346
H+ Hydrogen atom cation -0.438966 -0.497311 0.058346
Al2- aluminum dimer anion -484.770697 -484.829734 0.059038
Al2 Aluminum diatomic -484.770697 -484.829734 0.059038
Al2+ aluminum dimer cation -484.770697 -484.829734 0.059038
C2H4- Ethylene anion -78.540431 -78.599644 0.059213
C2H4 Ethylene -78.540431 -78.599644 0.059213
C2H4+ Ethylene cation -78.540431 -78.599644 0.059213
BF3- Borane, trifluoro- anion -324.429033 -324.488820 0.059787
BF3 Borane, trifluoro- -324.429033 -324.488820 0.059787
BF3+ boron trifluoride cation -324.429033 -324.488820 0.059787
HSe- selenium monohydride anion -2399.931846 -2399.991742 0.059896
HSe Selenium monohydride -2399.931846 -2399.991742 0.059896
HSe+ selenium monohydride cation -2399.931846 -2399.991742 0.059896
BeO- Beryllium monoxide anion -89.900370 -89.960707 0.060337
BeO beryllium oxide -89.900370 -89.960707 0.060337
BeO+ Beryllium monoxide cation -89.900370 -89.960707 0.060337
S- Sulfur atom anion -398.104993 -398.165684 0.060691
S Sulfur atom -398.104993 -398.165684 0.060691
S+ Sulfur atom cation -398.104993 -398.165684 0.060691
BS- boron monosulfide anion -422.969848 -423.030718 0.060870
BS boron sulfide -422.969848 -423.030718 0.060870
BS+ boron monosulfide cation -422.969848 -423.030718 0.060870
SiH2- silicon dihydride anion -290.581143 -290.642924 0.061781
SiH2 silicon dihydride -290.581143 -290.642924 0.061781
SiH2+ silicon dihydride cation -290.581143 -290.642924 0.061781
MgO- magnesium oxide anion -275.216197 -275.278170 0.061973
MgO magnesium oxide -275.216197 -275.278170 0.061973
MgO+ magnesium oxide cation -275.216197 -275.278170 0.061973
HSe- selenium monohydride anion -2399.512013 -2399.574070 0.062057
HSe Selenium monohydride -2399.512013 -2399.574070 0.062057
HSe+ selenium monohydride cation -2399.512013 -2399.574070 0.062057
BO2- Boron dioxide anion -174.767079 -174.829385 0.062306
BO2 Boron dioxide -174.767079 -174.829385 0.062306
BO2+ Boron dioxide cation -174.767079 -174.829385 0.062306
H2CO- formaldehyde anion -114.438129 -114.500473 0.062344
H2CO Formaldehyde -114.438129 -114.500473 0.062344
H2CO+ formaldehyde cation -114.438129 -114.500473 0.062344
SF- sulfur monofluoride anion -497.948872 -498.011878 0.063007
SF Monosulfur monofluoride -497.948872 -498.011878 0.063007
SF+ sulfur monofluoride cation -497.948872 -498.011878 0.063007
N- Nitrogen atom anion -54.525649 -54.589136 0.063487
N Nitrogen atom -54.525649 -54.589136 0.063487
N+ Nitrogen atom cation -54.525649 -54.589136 0.063487
BrF- bromine fluoride anion -2671.471890 -2671.536013 0.064123
BrF Bromine monofluoride -2671.471890 -2671.536013 0.064123
BrF+ bromine fluoride cation -2671.471890 -2671.536013 0.064123
O3- Ozone anion -225.406454 -225.470706 0.064252
O3 Ozone -225.406454 -225.470706 0.064252
O3+ Ozone cation -225.406454 -225.470706 0.064252
BF3- Borane, trifluoro- anion -324.488798 -324.553240 0.064442
BF3 Borane, trifluoro- -324.488798 -324.553240 0.064442
BF3+ boron trifluoride cation -324.488798 -324.553240 0.064442
Si2- silcon dimer anion -578.856539 -578.921111 0.064573
Si2 Silicon diatomic -578.856539 -578.921111 0.064573
Si2+ silcon dimer cation -578.856539 -578.921111 0.064573
NCl- nitrogen monochloride anion -514.758436 -514.823378 0.064941
NCl nitrogen monochloride -514.758436 -514.823378 0.064941
NCl+ nitrogen monochloride cation -514.758436 -514.823378 0.064941
NCl- nitrogen monochloride anion -514.758436 -514.824251 0.065815
NCl nitrogen monochloride -514.758436 -514.824251 0.065815
NCl+ nitrogen monochloride cation -514.758436 -514.824251 0.065815
SH- mercapto anion -398.740028 -398.806248 0.066220
SH Mercapto radical -398.740028 -398.806248 0.066220
SH+ sulfur monohydride cation -398.740028 -398.806248 0.066220
SO- sulfur monoxide anion -473.305734 -473.371958 0.066224
SO Sulfur monoxide -473.305734 -473.371958 0.066224
SO+ sulfur monoxide cation -473.305734 -473.371958 0.066224
CCl3- Trichloromethyl anion -1418.623477 -1418.690910 0.067433
CCl3 Trichloromethyl radical -1418.623477 -1418.690910 0.067433
CCl3+ Trichloromethyl cation -1418.623477 -1418.690910 0.067433
F- Fluorine atom anion -99.753814 -99.821336 0.067522
F Fluorine atom -99.753814 -99.821336 0.067522
F+ Fluorine atom cation -99.753814 -99.821336 0.067522
F- Fluorine atom anion -99.753810 -99.821336 0.067526
F Fluorine atom -99.753810 -99.821336 0.067526
F+ Fluorine atom cation -99.753810 -99.821336 0.067526
LiN Lithium Nitride -62.068544 -62.138116 0.069572
LiN+ Lithium Nitride cation -62.068544 -62.138116 0.069572
HCN- Hydrogen cyanide anion -93.352921 -93.422618 0.069696
HCN Hydrogen cyanide -93.352921 -93.422618 0.069696
HCN+ hydrogen cyanide cation -93.352921 -93.422618 0.069696
SeO- selenium monoxide anion -2474.491301 -2474.561826 0.070525
SeO Selenium monoxide -2474.491301 -2474.561826 0.070525
SeO+ selenium monoxide cation -2474.491301 -2474.561826 0.070525
PH- phosphorus monohydride anion -341.823868 -341.894437 0.070569
PH phosphorus monohydride -341.823868 -341.894437 0.070569
PH+ phosphorus monohydride cation -341.823868 -341.894437 0.070569
F2- flourine diatomic anion -199.498324 -199.569065 0.070742
F2 Fluorine diatomic -199.498324 -199.569065 0.070742
F2+ flourine diatomic cation -199.498324 -199.569065 0.070742
CCH2 vinylidene -77.187612 -77.259795 0.072183
MgS- magnesium sulfide anion -598.254689 -598.327316 0.072627
MgS magnesium sulfide -598.254689 -598.327316 0.072627
MgS+ magnesium sulfide cation -598.254689 -598.327316 0.072627
SO3- Sulfur trioxide anion -623.759192 -623.831910 0.072718
SO3 Sulfur trioxide -623.759192 -623.831910 0.072718
SO3+ Sulfur trioxide cation -623.759192 -623.831910 0.072718
O- Oxygen atom anion -74.587398 -74.660294 0.072896
O Oxygen atom -74.587398 -74.660294 0.072896
O+ Oxygen atom cation -74.587398 -74.660294 0.072896
O- Oxygen atom anion -74.587398 -74.660294 0.072896
O Oxygen atom -74.587398 -74.660294 0.072896
O+ Oxygen atom cation -74.587398 -74.660294 0.072896
BeS- Beryllium monosulfide anion -412.897682 -412.971328 0.073646
BeS beryllium sulfide -412.897682 -412.971328 0.073646
BeS+ Beryllium monosulfide cation -412.897682 -412.971328 0.073646
NF- nitrogen monofluorine anion -154.362056 -154.435924 0.073868
NF nitrogen fluoride -154.362056 -154.435924 0.073868
NF+ nitrogen monofluoirde cation -154.362056 -154.435924 0.073868
H2CO- formaldehyde anion -113.787544 -113.861433 0.073889
H2CO Formaldehyde -113.787544 -113.861433 0.073889
H2CO+ formaldehyde cation -113.787544 -113.861433 0.073889
N3- azide anion -164.138543 -164.213095 0.074552
N3 azide radical -164.138543 -164.213095 0.074552
ClF- clorine monofluoride anion -559.942766 -560.017557 0.074792
ClF Chlorine monofluoride -559.942766 -560.017557 0.074792
ClF+ clorine monofluoride cation -559.942766 -560.017557 0.074792
CCH2 vinylidene -77.197303 -77.272355 0.075052
F- Fluorine atom anion -99.749996 -99.827418 0.077423
F Fluorine atom -99.749996 -99.827418 0.077423
F+ Fluorine atom cation -99.749996 -99.827418 0.077423
NO- nitric oxide anion -129.810172 -129.888155 0.077983
NO Nitric oxide -129.810172 -129.888155 0.077983
NO+ nitric oxide cation -129.810172 -129.888155 0.077983
C2H- Ethynyl anion -76.604442 -76.682553 0.078111
C2H Ethynyl radical -76.604442 -76.682553 0.078111
C2H+ Ethynyl cation -76.604442 -76.682553 0.078111
PCl- phosphorus monochloride anion -801.464897 -801.544233 0.079336
PCl phosphorus chloride -801.464897 -801.544233 0.079336
PCl+ phosphorus monochloride cation -801.464897 -801.544233 0.079336
BN- boron nitride anion -79.414278 -79.495424 0.081146
BN boron nitride -79.414278 -79.495424 0.081146
BN+ boron nitride cation -79.414278 -79.495424 0.081146
AlO- Aluminum monoxide anion -317.611324 -317.692693 0.081369
AlO Aluminum monoxide -317.611324 -317.692693 0.081369
AlO+ aluminum monoxide cation -317.611324 -317.692693 0.081369
BF- Boron monofluoride anion -124.576470 -124.658034 0.081564
BF Boron monofluoride -124.576470 -124.658034 0.081564
BF+ Boron monofluoride cation -124.576470 -124.658034 0.081564
BC- boron monocarbide anion -62.627134 -62.708820 0.081686
BC boron monocarbide -62.627134 -62.708820 0.081686
BC+ boron monocarbide cation -62.627134 -62.708820 0.081686
CF2- Difluoromethylene anion -237.606542 -237.689779 0.083237
CF2 Difluoromethylene -237.606542 -237.689779 0.083237
CF2+ Difluoromethylene cation -237.606542 -237.689779 0.083237
CF2- Difluoromethylene anion -237.627940 -237.711335 0.083395
CF2 Difluoromethylene -237.627940 -237.711335 0.083395
CF2+ Difluoromethylene cation -237.627940 -237.711335 0.083395
CF- carbon monofluoride anion -137.693435 -137.776960 0.083526
CF Fluoromethylidyne -137.693435 -137.776960 0.083526
CF+ carbon monofluoride cation -137.693435 -137.776960 0.083526
B2- Boron diatomic anion -49.373253 -49.457342 0.084089
B2 Boron diatomic -49.373253 -49.457342 0.084089
B2+ Boron diatomic cation -49.373253 -49.457342 0.084089
SCl- sulfur monochloride anion -858.337608 -858.421754 0.084146
SCl sulfur monochloride -858.337608 -858.421754 0.084146
SCl+ sulfur monochloride cation -858.337608 -858.421754 0.084146
NH- Imidogen anion -55.134223 -55.219438 0.085215
NH Imidogen -55.134223 -55.219438 0.085215
NH+ imidogen cation -55.134223 -55.219438 0.085215
Se2- selenium dimer anion -4798.726842 -4798.812374 0.085532
Se2 Selenium diatomic -4798.726842 -4798.812374 0.085532
Se2+ selenium dimer cation -4798.726842 -4798.812374 0.085532
CP- carbon monophosphide anion -379.293271 -379.379248 0.085977
CP Carbon monophosphide -379.293271 -379.379248 0.085977
CP+ carbon monophosphide cation -379.293271 -379.379248 0.085977
F- Fluorine atom anion -24.081229 -24.167406 0.086176
F Fluorine atom -24.081229 -24.167406 0.086176
F+ Fluorine atom cation -24.081229 -24.167406 0.086176
F- Fluorine atom anion -99.762866 -99.850177 0.087311
F Fluorine atom -99.762866 -99.850177 0.087311
F+ Fluorine atom cation -99.762866 -99.850177 0.087311
Br2- bromine diatomic anion -5143.399112 -5143.486746 0.087634
Br2 Bromine diatomic -5143.399112 -5143.486746 0.087634
Br2+ bromine diatomic cation -5143.399112 -5143.486746 0.087634
C2- carbon diatomic anion -75.918384 -76.007855 0.089471
C2 Carbon diatomic -75.918384 -76.007855 0.089471
C2+ carbon diatomic cation -75.918384 -76.007855 0.089471
SiN- silicon mononitride anion -344.118286 -344.208539 0.090253
SiN Silicon nitride -344.118286 -344.208539 0.090253
SiN+ silicon mononitride cation -344.118286 -344.208539 0.090253
S2- sulfur dimer anion -796.325974 -796.416251 0.090277
S2 Sulfur diatomic -796.325974 -796.416251 0.090277
S2+ sulfur dimer cation -796.325974 -796.416251 0.090277
AlS- aluminum monosulfide anion -640.618558 -640.709405 0.090847
AlS Aluminum sulfide -640.618558 -640.709405 0.090847
AlS+ aluminum monosulfide cation -640.618558 -640.709405 0.090847
S3- Sulfur trimer anion -1194.542673 -1194.635711 0.093038
S3 Sulfur trimer -1194.542673 -1194.635711 0.093038
BrCl- bromine chloride anion -3031.875740 -3031.969595 0.093855
BrCl Bromine monochloride -3031.875740 -3031.969595 0.093855
BrCl+ bromine chloride cation -3031.875740 -3031.969595 0.093855
CO- carbon monoxide anion -113.214591 -113.309453 0.094863
CO Carbon monoxide -113.214591 -113.309453 0.094863
CO+ carbon monoxide cation -113.214591 -113.309453 0.094863
N2- nitrogen diatomic anion -109.428195 -109.524129 0.095934
N2 Nitrogen diatomic -109.428195 -109.524129 0.095934
N2+ diatomic nitrogen cation -109.428195 -109.524129 0.095934
Ar- Argon atom anion -527.423205 -527.519888 0.096683
Ar Argon atom -527.423205 -527.519888 0.096683
Ar+ Argon atom cation -527.423205 -527.519888 0.096683
PO2- Phosphorus dioxide anion -491.770891 -491.869895 0.099004
PO2 Phosphorus dioxide -491.770891 -491.869895 0.099004
PO2+ Phosphorus dioxide cation -491.770891 -491.869895 0.099004
AlN- aluminum mononitride anion -297.003386 -297.102972 0.099586
AlN Aluminum nitride -297.003386 -297.102972 0.099586
AlN+ aluminum mononitride cation -297.003386 -297.102972 0.099586
Cl2- chlorine diatomic anion -920.349934 -920.451937 0.102003
Cl2 Chlorine diatomic -920.349934 -920.451937 0.102003
Cl2+ chlorine diatomic cation -920.349934 -920.451937 0.102003
Cl- Chlorine atom anion -14.896059 -14.998633 0.102574
Cl Chlorine atom -14.896059 -14.998633 0.102574
Cl+ Chlorine atom cation -14.896059 -14.998633 0.102574
SiP- Silicon monophosphide anion -630.753742 -630.857147 0.103405
SiP Silicon monophosphide -630.753742 -630.857147 0.103405
SiP+ Silicon monophosphide cation -630.753742 -630.857147 0.103405
LiO- lithium oxide anion -82.265149 -82.368617 0.103468
LiO lithium oxide -82.265149 -82.368617 0.103468
LiO+ lithium oxide cation -82.265149 -82.368617 0.103468
NCO- cyanate -168.001164 -168.105111 0.103947
NCO isocyanato radical -168.001164 -168.105111 0.103947
Br- Bromine atom anion -2571.656918 -2571.761353 0.104434
Br Bromine atom -2571.656918 -2571.761353 0.104434
Br+ Bromine atom cation -2571.656918 -2571.761353 0.104434
H2O- water anion -76.328715 -76.434049 0.105334
H2O Water -76.328715 -76.434049 0.105334
H2O+ water cation -76.328715 -76.434049 0.105334
N- Nitrogen atom anion -54.189902 -54.295463 0.105561
N Nitrogen atom -54.189902 -54.295463 0.105561
N+ Nitrogen atom cation -54.189902 -54.295463 0.105561
N- Nitrogen atom anion -54.189902 -54.295463 0.105561
N Nitrogen atom -54.189902 -54.295463 0.105561
N+ Nitrogen atom cation -54.189902 -54.295463 0.105561
Si2- silcon dimer anion -578.815312 -578.921111 0.105800
Si2 Silicon diatomic -578.815312 -578.921111 0.105800
Si2+ silcon dimer cation -578.815312 -578.921111 0.105800
Cl- Chlorine atom anion -460.158468 -460.266576 0.108108
Cl Chlorine atom -460.158468 -460.266576 0.108108
Cl+ Chlorine atom cation -460.158468 -460.266576 0.108108
Cl- Chlorine atom anion -458.051040 -458.160372 0.109332
Cl Chlorine atom -458.051040 -458.160372 0.109332
Cl+ Chlorine atom cation -458.051040 -458.160372 0.109332
C2H4- Ethylene anion -78.476292 -78.587459 0.111166
C2H4 Ethylene -78.476292 -78.587459 0.111166
C2H4+ Ethylene cation -78.476292 -78.587459 0.111166
Cl- Chlorine atom anion -457.945764 -458.057087 0.111323
Cl Chlorine atom -457.945764 -458.057087 0.111323
Cl+ Chlorine atom cation -457.945764 -458.057087 0.111323
BN- boron nitride anion -79.383942 -79.495424 0.111482
BN boron nitride -79.383942 -79.495424 0.111482
BN+ boron nitride cation -79.383942 -79.495424 0.111482
OH- hydroxide anion -75.136218 -75.247832 0.111614
OH Hydroxyl radical -75.136218 -75.247832 0.111614
OH+ hydoxyl cation -75.136218 -75.247832 0.111614
SiC- silicon monocarbide anion -327.329692 -327.441446 0.111754
SiC silicon monocarbide -327.329692 -327.441446 0.111754
SiC+ silicon monocarbide cation -327.329692 -327.441446 0.111754
C2H- Ethynyl anion -76.076968 -76.189369 0.112401
C2H Ethynyl radical -76.076968 -76.189369 0.112401
C2H+ Ethynyl cation -76.076968 -76.189369 0.112401
H2O- water anion -76.321316 -76.434049 0.112733
H2O Water -76.321316 -76.434049 0.112733
H2O+ water cation -76.321316 -76.434049 0.112733
CN- cyanide anion -92.711748 -92.824532 0.112784
CN Cyano radical -92.711748 -92.824532 0.112784
CN+ Cyano cation -92.711748 -92.824532 0.112784
SCN- thiocyanide anion -490.985115 -491.099512 0.114397
SCN thiocyanato radical -490.985115 -491.099512 0.114397
Cl- Chlorine atom anion -460.136686 -460.251391 0.114705
Cl Chlorine atom -460.136686 -460.251391 0.114705
Cl+ Chlorine atom cation -460.136686 -460.251391 0.114705
Ar- Argon atom anion -527.444945 -527.559988 0.115043
Ar Argon atom -527.444945 -527.559988 0.115043
Ar+ Argon atom cation -527.444945 -527.559988 0.115043
Cl- Chlorine atom anion -460.136256 -460.252233 0.115977
Cl Chlorine atom -460.136256 -460.252233 0.115977
Cl+ Chlorine atom cation -460.136256 -460.252233 0.115977
Cl- Chlorine atom anion -460.136256 -460.252233 0.115978
Cl Chlorine atom -460.136256 -460.252233 0.115978
Cl+ Chlorine atom cation -460.136256 -460.252233 0.115978
Cl- Chlorine atom anion -460.131384 -460.248732 0.117348
Cl Chlorine atom -460.131384 -460.248732 0.117348
Cl+ Chlorine atom cation -460.131384 -460.248732 0.117348
HF- hydrogen fluoride anion -100.300306 -100.420172 0.119865
HF Hydrogen fluoride -100.300306 -100.420172 0.119865
HF+ hydrogen fluoride cation -100.300306 -100.420172 0.119865
Cl- Chlorine atom anion -14.867297 -14.987285 0.119988
Cl Chlorine atom -14.867297 -14.987285 0.119988
Cl+ Chlorine atom cation -14.867297 -14.987285 0.119988
SiF2 Silicon difluoride -489.138160 -489.258541 0.120381
CH3CN- acetonitrile anion -132.634069 -132.754929 0.120859
CH3CN Acetonitrile -132.634069 -132.754929 0.120859
CH3CN+ Acetonitrile cation -132.634069 -132.754929 0.120859
Cl- Chlorine atom anion -460.174690 -460.297536 0.122846
Cl Chlorine atom -460.174690 -460.297536 0.122846
Cl+ Chlorine atom cation -460.174690 -460.297536 0.122846
BF3- Borane, trifluoro- anion -324.429033 -324.553240 0.124207
BF3 Borane, trifluoro- -324.429033 -324.553240 0.124207
BF3+ boron trifluoride cation -324.429033 -324.553240 0.124207
C2- carbon diatomic anion -75.882402 -76.007855 0.125453
C2 Carbon diatomic -75.882402 -76.007855 0.125453
C2+ carbon diatomic cation -75.882402 -76.007855 0.125453
F- Fluorine atom anion -99.761681 -99.888691 0.127010
F Fluorine atom -99.761681 -99.888691 0.127010
F+ Fluorine atom cation -99.761681 -99.888691 0.127010
BO2- Boron dioxide anion -175.302295 -175.430474 0.128179
BO2 Boron dioxide -175.302295 -175.430474 0.128179
BO2+ Boron dioxide cation -175.302295 -175.430474 0.128179
F- Fluorine atom anion -99.730593 -99.859698 0.129104
F Fluorine atom -99.730593 -99.859698 0.129104
F+ Fluorine atom cation -99.730593 -99.859698 0.129104
F- Fluorine atom anion -99.766141 -99.895852 0.129711
F Fluorine atom -99.766141 -99.895852 0.129711
F+ Fluorine atom cation -99.766141 -99.895852 0.129711
Cl- Chlorine atom anion -460.166160 -460.300710 0.134550
Cl Chlorine atom -460.166160 -460.300710 0.134550
Cl+ Chlorine atom cation -460.166160 -460.300710 0.134550
Cl- Chlorine atom anion -460.166156 -460.300710 0.134554
Cl Chlorine atom -460.166156 -460.300710 0.134554
Cl+ Chlorine atom cation -460.166156 -460.300710 0.134554
Cl- Chlorine atom anion -460.175319 -460.310514 0.135195
Cl Chlorine atom -460.175319 -460.310514 0.135195
Cl+ Chlorine atom cation -460.175319 -460.310514 0.135195
Cl- Chlorine atom anion -460.168403 -460.303727 0.135324
Cl Chlorine atom -460.168403 -460.303727 0.135324
Cl+ Chlorine atom cation -460.168403 -460.303727 0.135324
Cl- Chlorine atom anion -460.138299 -460.274724 0.136424
Cl Chlorine atom -460.138299 -460.274724 0.136424
Cl+ Chlorine atom cation -460.138299 -460.274724 0.136424
H2O- water anion -76.255502 -76.408954 0.153452
H2O Water -76.255502 -76.408954 0.153452
H2O+ water cation -76.255502 -76.408954 0.153452
H2- hydrogen diatomic anion -1.018075 -1.175482 0.157408
H2 Hydrogen diatomic -1.018075 -1.175482 0.157408
H2+ Hydrogen cation -1.018075 -1.175482 0.157408
K- Potassium atom anion -27.970626 -28.133975 0.163349
K Potassium atom -27.970626 -28.133975 0.163349
K+ Potassium atom cation -27.970626 -28.133975 0.163349
K- Potassium atom anion -596.742038 -596.905628 0.163590
K Potassium atom -596.742038 -596.905628 0.163590
K+ Potassium atom cation -596.742038 -596.905628 0.163590
K- Potassium atom anion -596.742333 -596.905961 0.163629
K Potassium atom -596.742333 -596.905961 0.163629
K+ Potassium atom cation -596.742333 -596.905961 0.163629
K- Potassium atom anion -599.724016 -599.888621 0.164605
K Potassium atom -599.724016 -599.888621 0.164605
K+ Potassium atom cation -599.724016 -599.888621 0.164605
K- Potassium atom anion -599.761007 -599.926079 0.165072
K Potassium atom -599.761007 -599.926079 0.165072
K+ Potassium atom cation -599.761007 -599.926079 0.165072
K- Potassium atom anion -599.761007 -599.926079 0.165072
K Potassium atom -599.761007 -599.926079 0.165072
K+ Potassium atom cation -599.761007 -599.926079 0.165072
K- Potassium atom anion -599.724989 -599.890378 0.165389
K Potassium atom -599.724989 -599.890378 0.165389
K+ Potassium atom cation -599.724989 -599.890378 0.165389
K- Potassium atom anion -599.724989 -599.890378 0.165389
K Potassium atom -599.724989 -599.890378 0.165389
K+ Potassium atom cation -599.724989 -599.890378 0.165389
K- Potassium atom anion -599.725020 -599.890412 0.165392
K Potassium atom -599.725020 -599.890412 0.165392
K+ Potassium atom cation -599.725020 -599.890412 0.165392
K- Potassium atom anion -599.726465 -599.891859 0.165394
K Potassium atom -599.726465 -599.891859 0.165394
K+ Potassium atom cation -599.726465 -599.891859 0.165394
H2O- water anion -75.796618 -75.973965 0.177347
H2O Water -75.796618 -75.973965 0.177347
H2O+ water cation -75.796618 -75.973965 0.177347
K- Potassium atom anion -599.724989 -599.906985 0.181996
K Potassium atom -599.724989 -599.906985 0.181996
K+ Potassium atom cation -599.724989 -599.906985 0.181996
Na2- sodium dimer anion -324.397992 -324.586915 0.188923
Na2 Sodium diatomic -324.397992 -324.586915 0.188923
Na2+ sodium dimer cation -324.397992 -324.586915 0.188923
LiN Lithium Nitride -61.878659 -62.068546 0.189886
LiN+ Lithium Nitride cation -61.878659 -62.068546 0.189886
NaLi- lithium sodium anion -169.609511 -169.800451 0.190940
NaLi lithium sodium -169.609511 -169.800451 0.190940
NaLi+ lithium sodium cation -169.609511 -169.800451 0.190940
Li2- lithium dimer anion -14.821615 -15.014261 0.192646
Li2 Lithium diatomic -14.821615 -15.014261 0.192646
Li2+ lithium diatomic cation -14.821615 -15.014261 0.192646
Na- Sodium atom anion -162.081230 -162.279881 0.198651
Na Sodium atom -162.081230 -162.279881 0.198651
Na+ Sodium atom cation -162.081230 -162.279881 0.198651
Al2- aluminum dimer anion -484.569763 -484.770700 0.200937
Al2 Aluminum diatomic -484.569763 -484.770700 0.200937
Al2+ aluminum dimer cation -484.569763 -484.770700 0.200937
Li2- lithium dimer anion -14.821615 -15.023147 0.201532
Li2 Lithium diatomic -14.821615 -15.023147 0.201532
Li2+ lithium diatomic cation -14.821615 -15.023147 0.201532
NaLi- lithium sodium anion -169.609511 -169.813264 0.203753
NaLi lithium sodium -169.609511 -169.813264 0.203753
NaLi+ lithium sodium cation -169.609511 -169.813264 0.203753
Na2- sodium dimer anion -324.397992 -324.602070 0.204078
Na2 Sodium diatomic -324.397992 -324.602070 0.204078
Na2+ sodium dimer cation -324.397992 -324.602070 0.204078
Li- Lithium atom anion -7.233620 -7.438944 0.205324
Li Lithium atom -7.233620 -7.438944 0.205324
Li+ Lithium atom cation -7.233620 -7.438944 0.205324
Li- Lithium atom anion -7.233620 -7.438944 0.205324
Li Lithium atom -7.233620 -7.438944 0.205324
Li+ Lithium atom cation -7.233620 -7.438944 0.205324
Li- Lithium atom anion -7.285113 -7.491415 0.206302
Li Lithium atom -7.285113 -7.491415 0.206302
Li+ Lithium atom cation -7.285113 -7.491415 0.206302
Li- Lithium atom anion -7.284535 -7.490902 0.206368
Li Lithium atom -7.284535 -7.490902 0.206368
Li+ Lithium atom cation -7.284535 -7.490902 0.206368
Li- Lithium atom anion -7.284903 -7.491297 0.206393
Li Lithium atom -7.284903 -7.491297 0.206393
Li+ Lithium atom cation -7.284903 -7.491297 0.206393
Li- Lithium atom anion -7.284903 -7.491297 0.206393
Li Lithium atom -7.284903 -7.491297 0.206393
Li+ Lithium atom cation -7.284903 -7.491297 0.206393
Li- Lithium atom anion -7.284544 -7.490985 0.206440
Li Lithium atom -7.284544 -7.490985 0.206440
Li+ Lithium atom cation -7.284544 -7.490985 0.206440
Li- Lithium atom anion -7.284544 -7.490985 0.206440
Li Lithium atom -7.284544 -7.490985 0.206440
Li+ Lithium atom cation -7.284544 -7.490985 0.206440
Li- Lithium atom anion -7.284593 -7.491202 0.206608
Li Lithium atom -7.284593 -7.491202 0.206608
Li+ Lithium atom cation -7.284593 -7.491202 0.206608
Li- Lithium atom anion -7.285384 -7.492016 0.206631
Li Lithium atom -7.285384 -7.492016 0.206631
Li+ Lithium atom cation -7.285384 -7.492016 0.206631
Li- Lithium atom anion -7.285401 -7.492054 0.206653
Li Lithium atom -7.285401 -7.492054 0.206653
Li+ Lithium atom cation -7.285401 -7.492054 0.206653
Li- Lithium atom anion -7.284806 -7.491464 0.206658
Li Lithium atom -7.284806 -7.491464 0.206658
Li+ Lithium atom cation -7.284806 -7.491464 0.206658
Ne- Neon atom anion -128.758749 -128.966286 0.207537
Ne Neon atom -128.758749 -128.966286 0.207537
Ne+ Neon atom cation -128.758749 -128.966286 0.207537
Al2- aluminum dimer anion -484.569763 -484.780173 0.210410
Al2 Aluminum diatomic -484.569763 -484.780173 0.210410
Al2+ aluminum dimer cation -484.569763 -484.780173 0.210410
Li- Lithium atom anion -7.284544 -7.496821 0.212277
Li Lithium atom -7.284544 -7.496821 0.212277
Li+ Lithium atom cation -7.284544 -7.496821 0.212277
Na- Sodium atom anion -162.081230 -162.296219 0.214989
Na Sodium atom -162.081230 -162.296219 0.214989
Na+ Sodium atom cation -162.081230 -162.296219 0.214989
Ca- Calcium atom anion -677.311060 -677.528059 0.216999
Ca Calcium atom -677.311060 -677.528059 0.216999
Ca+ Calcium atom cation -677.311060 -677.528059 0.216999
Al- Aluminum atom anion -1.718209 -1.938692 0.220482
Al Aluminum atom -1.718209 -1.938692 0.220482
Al+ Aluminum atom cation -1.718209 -1.938692 0.220482
Al- Aluminum atom anion -242.144918 -242.365764 0.220846
Al Aluminum atom -242.144918 -242.365764 0.220846
Al+ Aluminum atom cation -242.144918 -242.365764 0.220846
Al- Aluminum atom anion -242.168515 -242.389513 0.220997
Al Aluminum atom -242.168515 -242.389513 0.220997
Al+ Aluminum atom cation -242.168515 -242.389513 0.220997
Al- Aluminum atom anion -242.165066 -242.386074 0.221008
Al Aluminum atom -242.165066 -242.386074 0.221008
Al+ Aluminum atom cation -242.165066 -242.386074 0.221008
Al- Aluminum atom anion -242.165066 -242.386074 0.221008
Al Aluminum atom -242.165066 -242.386074 0.221008
Al+ Aluminum atom cation -242.165066 -242.386074 0.221008
Al- Aluminum atom anion -242.147131 -242.368235 0.221105
Al Aluminum atom -242.147131 -242.368235 0.221105
Al+ Aluminum atom cation -242.147131 -242.368235 0.221105
Al- Aluminum atom anion -242.147131 -242.368236 0.221105
Al Aluminum atom -242.147131 -242.368236 0.221105
Al+ Aluminum atom cation -242.147131 -242.368236 0.221105
Al- Aluminum atom anion -242.168662 -242.389772 0.221110
Al Aluminum atom -242.168662 -242.389772 0.221110
Al+ Aluminum atom cation -242.168662 -242.389772 0.221110
Al- Aluminum atom anion -240.822520 -241.043836 0.221316
Al Aluminum atom -240.822520 -241.043836 0.221316
Al+ Aluminum atom cation -240.822520 -241.043836 0.221316
Al- Aluminum atom anion -242.147595 -242.368979 0.221384
Al Aluminum atom -242.147595 -242.368979 0.221384
Al+ Aluminum atom cation -242.147595 -242.368979 0.221384
Al- Aluminum atom anion -242.161417 -242.382859 0.221442
Al Aluminum atom -242.161417 -242.382859 0.221442
Al+ Aluminum atom cation -242.161417 -242.382859 0.221442
Al- Aluminum atom anion -242.146571 -242.368164 0.221593
Al Aluminum atom -242.146571 -242.368164 0.221593
Al+ Aluminum atom cation -242.146571 -242.368164 0.221593
Al- Aluminum atom anion -240.862078 -241.084342 0.222263
Al Aluminum atom -240.862078 -241.084342 0.222263
Al+ Aluminum atom cation -240.862078 -241.084342 0.222263
Al- Aluminum atom anion -242.147131 -242.369481 0.222350
Al Aluminum atom -242.147131 -242.369481 0.222350
Al+ Aluminum atom cation -242.147131 -242.369481 0.222350
Ca- Calcium atom anion -674.010882 -674.236817 0.225935
Ca Calcium atom -674.010882 -674.236817 0.225935
Ca+ Calcium atom cation -674.010882 -674.236817 0.225935
Ca- Calcium atom anion -677.313295 -677.539234 0.225938
Ca Calcium atom -677.313295 -677.539234 0.225938
Ca+ Calcium atom cation -677.313295 -677.539234 0.225938
Ca- Calcium atom anion -677.311142 -677.537167 0.226026
Ca Calcium atom -677.311142 -677.537167 0.226026
Ca+ Calcium atom cation -677.311142 -677.537167 0.226026
Ca- Calcium atom anion -677.311060 -677.537097 0.226037
Ca Calcium atom -677.311060 -677.537097 0.226037
Ca+ Calcium atom cation -677.311060 -677.537097 0.226037
Ca- Calcium atom anion -677.349775 -677.575977 0.226202
Ca Calcium atom -677.349775 -677.575977 0.226202
Ca+ Calcium atom cation -677.349775 -677.575977 0.226202
Ca- Calcium atom anion -677.349775 -677.575977 0.226202
Ca Calcium atom -677.349775 -677.575977 0.226202
Ca+ Calcium atom cation -677.349775 -677.575977 0.226202
Ca- Calcium atom anion -677.309150 -677.536242 0.227092
Ca Calcium atom -677.309150 -677.536242 0.227092
Ca+ Calcium atom cation -677.309150 -677.536242 0.227092
Be2- Beryllium dimer anion -29.090952 -29.318090 0.227138
Be2 Beryllium diatomic -29.090952 -29.318090 0.227138
Be2+ Beryllium diatomic cation -29.090952 -29.318090 0.227138
Ca- Calcium atom anion -673.993826 -674.221195 0.227368
Ca Calcium atom -673.993826 -674.221195 0.227368
Ca+ Calcium atom cation -673.993826 -674.221195 0.227368
Al- Aluminum atom anion -1.705342 -1.933045 0.227703
Al Aluminum atom -1.705342 -1.933045 0.227703
Al+ Aluminum atom cation -1.705342 -1.933045 0.227703
Mg2- magnesium dimer anion -399.925996 -400.156064 0.230068
Mg2 Magnesium diatomic -399.925996 -400.156064 0.230068
Mg2+ magnesium dimer cation -399.925996 -400.156064 0.230068
Mg2- magnesium dimer anion -399.925996 -400.159224 0.233228
Mg2 Magnesium diatomic -399.925996 -400.159224 0.233228
Mg2+ magnesium dimer cation -399.925996 -400.159224 0.233228
Ca- Calcium atom anion -36.314072 -36.550702 0.236630
Ca Calcium atom -36.314072 -36.550702 0.236630
Ca+ Calcium atom cation -36.314072 -36.550702 0.236630
Ne- Neon atom anion -128.665030 -128.916155 0.251124
Ne Neon atom -128.665030 -128.916155 0.251124
Ne+ Neon atom cation -128.665030 -128.916155 0.251124
Be2- Beryllium dimer anion -29.090952 -29.342172 0.251220
Be2 Beryllium diatomic -29.090952 -29.342172 0.251220
Be2+ Beryllium diatomic cation -29.090952 -29.342172 0.251220
Mg- Magnesium atom anion -199.795316 -200.051698 0.256383
Mg Magnesium atom -199.795316 -200.051698 0.256383
Mg+ Magnesium atom cation -199.795316 -200.051698 0.256383
CH3CO- Acetyl anion -152.923370 -153.179835 0.256465
CH3CO Acetyl radical -152.923370 -153.179835 0.256465
CH3CO+ acetyl cation -152.923370 -153.179835 0.256465
CF- carbon monofluoride anion -137.436299 -137.693442 0.257143
CF Fluoromethylidyne -137.436299 -137.693442 0.257143
CF+ carbon monofluoride cation -137.436299 -137.693442 0.257143
LiN Lithium Nitride -61.878659 -62.138116 0.259457
LiN+ Lithium Nitride cation -61.878659 -62.138116 0.259457
Al2- aluminum dimer anion -484.569763 -484.829734 0.259971
Al2 Aluminum diatomic -484.569763 -484.829734 0.259971
Al2+ aluminum dimer cation -484.569763 -484.829734 0.259971
C2H4- Ethylene anion -78.215556 -78.476294 0.260738
C2H4 Ethylene -78.215556 -78.476294 0.260738
C2H4+ Ethylene cation -78.215556 -78.476294 0.260738
MgH- magnesium monohydride anion -200.370905 -200.632221 0.261316
MgH magnesium monohydride -200.370905 -200.632221 0.261316
MgH+ magnesium monohydride cation -200.370905 -200.632221 0.261316
AlH2- aluminum dihydride anion -243.303388 -243.566413 0.263025
AlH2 aluminum dihydride -243.303388 -243.566413 0.263025
AlH2+ aluminum dihydride cation -243.303388 -243.566413 0.263025
AlH2- aluminum dihydride anion -243.306135 -243.569266 0.263131
AlH2 aluminum dihydride -243.306135 -243.569266 0.263131
AlH2+ aluminum dihydride cation -243.306135 -243.569266 0.263131
CH3CO- Acetyl anion -152.929758 -153.194508 0.264750
CH3CO Acetyl radical -152.929758 -153.194508 0.264750
CH3CO+ acetyl cation -152.929758 -153.194508 0.264750
Si2- silcon dimer anion -578.549630 -578.815311 0.265681
Si2 Silicon diatomic -578.549630 -578.815311 0.265681
Si2+ silcon dimer cation -578.549630 -578.815311 0.265681
Cu- Copper atom anion -1639.860921 -1640.127063 0.266142
Cu Copper atom -1639.860921 -1640.127063 0.266142
Cu+ Copper atom cation -1639.860921 -1640.127063 0.266142
NaH- sodium hydride anion -162.585316 -162.852571 0.267254
NaH sodium hydride -162.585316 -162.852571 0.267254
NaH+ sodium hydride cation -162.585316 -162.852571 0.267254
NaO- sodium oxide anion -237.158177 -237.427002 0.268825
NaO sodium monoxide -237.158177 -237.427002 0.268825
NaO+ sodium oxide cation -237.158177 -237.427002 0.268825
SiF- silicon monofluoride anion -389.034752 -389.304229 0.269478
SiF silicon monofluoride -389.034752 -389.304229 0.269478
SiF+ silicon monofluoride cation -389.034752 -389.304229 0.269478
CH2OH Hydroxymethyl radical -114.782500 -115.052032