National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
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XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
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XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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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
TiO2 Titanium dioxide -998.377911 -1000.045825 1.667914
SCl sulfur monochloride -857.037655 -858.417674 1.380019
SCl sulfur monochloride -857.037655 -858.417674 1.380019
SCl sulfur monochloride -857.002297 -858.382153 1.379857
SCl sulfur monochloride -857.002297 -858.382153 1.379857
N Nitrogen atom -54.398892 -54.584489 0.185597
C Carbon atom -37.687763 -37.846280 0.158517
C Carbon atom -37.690253 -37.846280 0.156027
NaO+ sodium oxide cation -237.203278 -237.101258 -0.102020
S+ Sulfur atom cation -397.751322 -397.670015 -0.081308
FO+ fluorine monoxide cation -174.475415 -174.396927 -0.078488
Se+ Selenium atom cation -2401.208794 -2401.135956 -0.072838
BeN+ Beryllium mononitride cation -69.024774 -68.957647 -0.067127
SiN+ silicon mononitride cation -343.795550 -343.737913 -0.057637
C2+ carbon diatomic cation -75.452861 -75.504333 0.051472
NH2+ Amino cation -55.437055 -55.488334 0.051279
NH2+ Amino cation -55.488333 -55.437056 -0.051277
CCl- carbon monochloride anion -498.235536 -498.188460 -0.047077
CH- methylidyne anion -38.547066 -38.503637 -0.043429
LiCN lithium cyanide -99.820790 -99.779162 -0.041627
Ge Germanium atom -2077.005212 -2076.966658 -0.038554
FO2 Dioxygen monofluoride -250.170713 -250.134664 -0.036048
B2 Boron diatomic -49.373253 -49.408477 0.035224
Si- Silicon atom anion -289.446284 -289.411413 -0.034871
SeS Selenium monosulfide -2799.855280 -2799.821628 -0.033651
C2H Ethynyl radical -76.604307 -76.636846 0.032539
B2- Boron diatomic anion -49.507638 -49.476497 -0.031142
BH3+ boron trihydride cation -26.145377 -26.176505 0.031128
NO3+ nitrogen trioxide cation -279.834441 -279.861404 0.026963
NO3+ nitrogen trioxide cation -279.831376 -279.858274 0.026898
AlH3+ aluminum trihydride cation -243.823405 -243.850233 0.026828
NO3+ nitrogen trioxide cation -279.745505 -279.720804 -0.024701
NO3+ nitrogen trioxide cation -279.720805 -279.745503 0.024698
NO3+ nitrogen trioxide cation -279.770145 -279.793302 0.023157
Al2- aluminum dimer anion -484.879122 -484.856977 -0.022145
NO3+ nitrogen trioxide cation -279.750862 -279.772563 0.021701
B2+ Boron diatomic cation -48.779879 -48.801305 0.021426
Al- Aluminum atom anion -242.406723 -242.389701 -0.017022
B2+ Boron diatomic cation -49.069020 -49.085948 0.016928
B2+ Boron diatomic cation -49.085148 -49.068409 -0.016740
B2+ Boron diatomic cation -49.068409 -49.085149 0.016739
B2+ Boron diatomic cation -49.068409 -49.085149 0.016739
B2+ Boron diatomic cation -49.069794 -49.086355 0.016562
B2+ Boron diatomic cation -49.071009 -49.087562 0.016552
B2+ Boron diatomic cation -49.072622 -49.088635 0.016014
P2+ phosphorus dimer cation -682.374604 -682.358659 -0.015946
B2+ Boron diatomic cation -49.076807 -49.092353 0.015546
B2+ Boron diatomic cation -49.076807 -49.092353 0.015546
B2+ Boron diatomic cation -49.076578 -49.092027 0.015448
LiCN lithium cyanide -100.388800 -100.375186 -0.013613
NaO sodium monoxide -235.998301 -236.011903 0.013602
NaO sodium monoxide -237.466582 -237.479232 0.012650
LiO lithium oxide -82.679053 -82.691599 0.012546
NaO sodium monoxide -237.420118 -237.432368 0.012250
NaO sodium monoxide -237.420118 -237.432368 0.012250
NaO sodium monoxide -237.420118 -237.432368 0.012250
V Vanadium atom -939.335141 -939.347237 0.012096
LiO lithium oxide -82.669278 -82.681270 0.011992
LiO lithium oxide -82.669278 -82.681270 0.011992
LiO lithium oxide -82.669278 -82.681270 0.011992
NaO sodium monoxide -237.436160 -237.447521 0.011361
V Vanadium atom -943.869053 -943.880037 0.010985
LiO lithium oxide -82.698810 -82.709182 0.010372
V Vanadium atom -943.921253 -943.931374 0.010120
V Vanadium atom -943.921123 -943.931232 0.010109
NaO sodium monoxide -237.443668 -237.453148 0.009480
LiO lithium oxide -82.218959 -82.228407 0.009447
CH3CH methylmethylene -78.509775 -78.501296 -0.008479
SiP Silicon monophosphide -630.792370 -630.800350 0.007979
Ti Titanium atom -849.384230 -849.376704 -0.007527
SiP Silicon monophosphide -630.789562 -630.796300 0.006738
SiP Silicon monophosphide -630.813223 -630.819953 0.006730
SiP Silicon monophosphide -630.812503 -630.818808 0.006305
SiP Silicon monophosphide -630.755586 -630.761573 0.005988
Si2 Silicon diatomic -578.902011 -578.907951 0.005941
ONNO NO dimer -259.882171 -259.876395 -0.005776
SiP Silicon monophosphide -630.759466 -630.753741 -0.005725
SiP Silicon monophosphide -630.753742 -630.759466 0.005723
SiP Silicon monophosphide -630.753742 -630.759466 0.005723
C5H7 cyclopentenyl radical -194.755022 -194.759839 0.004817
CH2OOH CH2OOH -190.322362 -190.326383 0.004021
SiP Silicon monophosphide -630.799350 -630.803337 0.003988
C5H8 1,3-Pentadiene, (Z)- -195.385370 -195.388929 0.003559
SiP Silicon monophosphide -627.517993 -627.520386 0.002393
C2H4- Ethylene anion -78.546277 -78.548437 0.002160
C2H4+ Ethylene cation -78.243780 -78.242035 -0.001745
CH3CN+ Acetonitrile cation -132.366240 -132.367889 0.001649
H2OH2O water dimer -151.970911 -151.972382 0.001472
NeH neon hydrogen -128.702271 -128.701058 -0.001213
H2OCH3OCH3 water dimethylether dimer -231.560909 -231.562074 0.001165
AlH3+ aluminum trihydride cation -243.793739 -243.794809 0.001070
SCl sulfur monochloride -858.420285 -858.421165 0.000881
SCl sulfur monochloride -858.420285 -858.421165 0.000880
CH3S thiomethoxy -438.110907 -438.111767 0.000860
Sc Scandium atom -760.644321 -760.645169 0.000848
SCl sulfur monochloride -858.421137 -858.420314 -0.000822
NH3NH3 Ammonia Dimer -113.138980 -113.139741 0.000761
NH3NH3 Ammonia Dimer -113.138980 -113.139741 0.000761
C10H16 adamantane -390.859037 -390.858315 -0.000722
BeOH beryllium hydroxide -90.579344 -90.578623 -0.000721
Cu Copper atom -1632.437918 -1632.437214 -0.000704
Cu Copper atom -1632.437918 -1632.437214 -0.000704
C10H16 adamantane -390.726007 -390.725385 -0.000622
Cu Copper atom -1640.174297 -1640.173837 -0.000460
C2H Ethynyl radical -76.616174 -76.615743 -0.000431
C2H Ethynyl radical -76.616174 -76.615743 -0.000431
PF6- Hexafluorophosphate ion -935.584349 -935.584779 0.000430
CuF2 Copper difluoride -1831.178582 -1831.178156 -0.000426
CuF2 Copper difluoride -1839.966986 -1839.967409 0.000423
CuF2 Copper difluoride -1839.966986 -1839.967409 0.000423
SiH3CCl3 (trichloromethyl)silane -1710.137649 -1710.137266 -0.000382
IF Iodine monofluoride -6989.805835 -6989.805455 -0.000380
SiH3CCl3 (trichloromethyl)silane -1710.140453 -1710.140080 -0.000373
NH3NH3 Ammonia Dimer -113.181310 -113.181674 0.000364
NH3NH3 Ammonia Dimer -113.181671 -113.181314 -0.000356
NH3NH3 Ammonia Dimer -113.181671 -113.181314 -0.000356
IF Iodine monofluoride -6989.896611 -6989.896263 -0.000348
CuF2 Copper difluoride -1840.052449 -1840.052789 0.000339
IF Iodine monofluoride -7019.355433 -7019.355107 -0.000326
ICl Iodine monochloride -7348.738588 -7348.738281 -0.000306
Cu Copper atom -1640.172466 -1640.172742 0.000276
ZnF2 Zinc difluoride -1978.850463 -1978.850737 0.000273
Ne2+ Neon dimer cation -255.780229 -255.779963 -0.000266
C3H6S Thietane -516.095795 -516.096060 0.000265
TiF4 Titanium tetrafluoride -1249.310784 -1249.310526 -0.000257
Cu Copper atom -1640.172180 -1640.172435 0.000255
TiF4 Titanium tetrafluoride -1249.237396 -1249.237141 -0.000254
ICl Iodine monochloride -7348.548691 -7348.548442 -0.000249
TiF4 Titanium tetrafluoride -1249.123331 -1249.123090 -0.000241
TiF4 Titanium tetrafluoride -1249.345158 -1249.344919 -0.000239
TiF4 Titanium tetrafluoride -1249.337227 -1249.336989 -0.000239
C3H6S Thietane -516.108374 -516.108611 0.000237
AsF Arsenic monofluoride -2324.429735 -2324.429960 0.000225
AsF Arsenic monofluoride -2324.429735 -2324.429960 0.000225
TiF4 Titanium tetrafluoride -1249.229763 -1249.229539 -0.000224
SeF6 Selenium hexafluoride -3000.845603 -3000.845381 -0.000222
ICl Iodine monochloride -7379.746028 -7379.745810 -0.000218
GeF2 Germanium difluoride -2276.942879 -2276.943089 0.000210
TiF4 Titanium tetrafluoride -1242.920291 -1242.920083 -0.000209
As4 Arsenic tetramer -8943.939425 -8943.939633 0.000208
As4 Arsenic tetramer -8943.940491 -8943.940699 0.000208
TiF4 Titanium tetrafluoride -1249.193425 -1249.193219 -0.000206
TiF4 Titanium tetrafluoride -1249.082199 -1249.081995 -0.000204
TiF4 Titanium tetrafluoride -1249.082199 -1249.081995 -0.000204
C3H6S Thietane -516.174662 -516.174866 0.000204
GeF2 Germanium difluoride -2276.935952 -2276.936153 0.000201
ICl Iodine monochloride -26.313172 -26.312977 -0.000196
NeH neon hydrogen -129.394898 -129.394704 -0.000194
Cl2 Chlorine diatomic -29.843199 -29.843007 -0.000193
Cl2 Chlorine diatomic -29.843199 -29.843007 -0.000193
BrF3 Bromine trifluoride -2873.712207 -2873.712015 -0.000192
HClO3 Chloric Acid -686.357724 -686.357533 -0.000191
NeH neon hydrogen -129.411133 -129.410943 -0.000191
BrF3 Bromine trifluoride -2873.725880 -2873.725689 -0.000191
H2OH2O water dimer -152.830148 -152.830336 0.000187
NeH neon hydrogen -129.394890 -129.394704 -0.000186
SeF6 Selenium hexafluoride -2985.854210 -2985.854394 0.000184
H2OH2O water dimer -152.830332 -152.830148 -0.000184
Ga2H6 digallane -3853.317122 -3853.316938 -0.000184
Ga2H6 digallane -3853.320440 -3853.320257 -0.000183
Cl2 Chlorine diatomic -920.314409 -920.314229 -0.000179
Cl2 Chlorine diatomic -920.314409 -920.314229 -0.000179
Cl2 Chlorine diatomic -910.326616 -910.326439 -0.000177
Cl2 Chlorine diatomic -910.326616 -910.326439 -0.000177
ScF Scandium monofluoride -860.537129 -860.537305 0.000176
ICl Iodine monochloride -26.338801 -26.338628 -0.000173
ICl Iodine monochloride -26.339574 -26.339401 -0.000173
AsF Arsenic monofluoride -2335.719506 -2335.719336 -0.000170
AsF Arsenic monofluoride -2335.719506 -2335.719336 -0.000170
SeF Selenium monofluoride -2501.362402 -2501.362234 -0.000167
AsF Arsenic monofluoride -2335.673082 -2335.672915 -0.000166
CH3CO+ acetyl cation -152.923370 -152.923535 0.000165
AsF Arsenic monofluoride -2335.698721 -2335.698556 -0.000165
AsF Arsenic monofluoride -2335.698721 -2335.698556 -0.000165
AsF Arsenic monofluoride -2335.651861 -2335.651698 -0.000163
BrF Bromine monofluoride -2674.052911 -2674.052748 -0.000163
ScF Scandium monofluoride -860.523226 -860.523387 0.000161
ScF Scandium monofluoride -860.523226 -860.523387 0.000161
KrF2 Krypton difluoride -2953.401997 -2953.401836 -0.000161
SeF Selenium monofluoride -2501.365612 -2501.365451 -0.000161
SeF Selenium monofluoride -2501.344026 -2501.343865 -0.000161
Ga2 Gallium diatomic -3849.843784 -3849.843942 0.000159
Ga2 Gallium diatomic -3849.843254 -3849.843413 0.000158
KrF2 Krypton difluoride -2953.414061 -2953.413904 -0.000157
Ga2 Gallium diatomic -3849.710407 -3849.710250 -0.000157
Ga2 Gallium diatomic -3849.711389 -3849.711233 -0.000157
Ga2H6 digallane -3853.467155 -3853.467311 0.000156
Ga2H6 digallane -3849.452530 -3849.452374 -0.000155
Ga2H6 digallane -3853.465052 -3853.465207 0.000155
Ga2H6 digallane -3849.457775 -3849.457620 -0.000155
ScF Scandium monofluoride -860.603214 -860.603368 0.000154
ScF Scandium monofluoride -860.631933 -860.632087 0.000154
ScF Scandium monofluoride -860.634098 -860.634252 0.000153
ScF Scandium monofluoride -860.596247 -860.596399 0.000152
PF6- Hexafluorophosphate ion -940.684911 -940.685062 0.000150
Ga2H6 digallane -3849.428720 -3849.428570 -0.000150
Cl2- chlorine diatomic anion -920.515649 -920.515797 0.000149
Cl2- chlorine diatomic anion -920.515649 -920.515797 0.000149
Cl2 Chlorine diatomic -915.949321 -915.949173 -0.000148
Cl2 Chlorine diatomic -915.949321 -915.949173 -0.000148
Ge2 Germanium dimer -4154.117438 -4154.117586 0.000148
Cl2- chlorine diatomic anion -920.491788 -920.491935 0.000148
Cl2- chlorine diatomic anion -920.491788 -920.491935 0.000148
Cu Copper atom -1640.378188 -1640.378042 -0.000146
Cu Copper atom -1640.378188 -1640.378042 -0.000146
PF6- Hexafluorophosphate ion -940.643173 -940.643319 0.000146
PF6- Hexafluorophosphate ion -940.643173 -940.643319 0.000146
F Fluorine atom -24.081229 -24.081085 -0.000144
F Fluorine atom -24.078778 -24.078635 -0.000144
ScF Scandium monofluoride -856.343283 -856.343425 0.000142
GaF3 Gallium trifluoride -2224.704609 -2224.704749 0.000140
GaF3 Gallium trifluoride -2224.714116 -2224.714256 0.000140
F Fluorine atom -24.077366 -24.077227 -0.000140
F Fluorine atom -24.079304 -24.079165 -0.000139
ScF Scandium monofluoride -860.579399 -860.579537 0.000138
F2- flourine diatomic anion -199.568927 -199.569065 0.000138
Cl3- trichloride anion -1380.751747 -1380.751612 -0.000135
SF5Cl sulfur chloropentafluoride -1357.505191 -1357.505324 0.000134
C2H Ethynyl radical -76.606237 -76.606371 0.000134
AsF Arsenic monofluoride -2333.587776 -2333.587644 -0.000132
AsF Arsenic monofluoride -2333.587776 -2333.587644 -0.000132
GaAs Gallium arsenide -4160.863720 -4160.863852 0.000132
GaAs Gallium arsenide -4160.863026 -4160.863158 0.000132
GaAs Gallium arsenide -4160.824910 -4160.825041 0.000131
GaAs Gallium arsenide -4160.823938 -4160.824069 0.000131
ScF Scandium monofluoride -860.614895 -860.615025 0.000130
C8H8 cubane -309.560214 -309.560084 -0.000130
SeF Selenium monofluoride -2499.187010 -2499.186882 -0.000128
GaCl Gallium monochloride -2385.165247 -2385.165121 -0.000127
SeF Selenium monofluoride -2499.152597 -2499.152473 -0.000124
SeF Selenium monofluoride -2499.152597 -2499.152473 -0.000124
Cl3- trichloride anion -1380.728827 -1380.728703 -0.000124
Ga2 Gallium diatomic -3845.823468 -3845.823345 -0.000123
SeF6 Selenium hexafluoride -2998.331260 -2998.331382 0.000122
SeF6 Selenium hexafluoride -2998.331260 -2998.331382 0.000122
AsF Arsenic monofluoride -2335.717245 -2335.717123 -0.000122
AsF Arsenic monofluoride -2335.717245 -2335.717123 -0.000122
ClF3 Chlorine trifluoride -759.670352 -759.670230 -0.000122
CaCO3 Calcium Carbonate -930.836763 -930.836884 0.000121
ClF3 Chlorine trifluoride -759.586756 -759.586634 -0.000121
C5H12 Propane, 2,2-dimethyl- -197.850497 -197.850376 -0.000121
Ga2H6 digallane -3853.391015 -3853.390895 -0.000120
GaCl Gallium monochloride -2385.160693 -2385.160573 -0.000120
Ga2 Gallium diatomic -3849.770627 -3849.770507 -0.000120
ClF3 Chlorine trifluoride -759.657136 -759.657016 -0.000120
AsF Arsenic monofluoride -2333.555854 -2333.555734 -0.000120
AsF Arsenic monofluoride -2333.555854 -2333.555734 -0.000120
AsF Arsenic monofluoride -2333.555854 -2333.555734 -0.000120
AsF Arsenic monofluoride -2333.555854 -2333.555734 -0.000120
Ga2 Gallium diatomic -3845.817272 -3845.817152 -0.000120
Ga2 Gallium diatomic -3845.817272 -3845.817152 -0.000120
SF5Cl sulfur chloropentafluoride -1357.708996 -1357.709115 0.000119
PF6- Hexafluorophosphate ion -940.950847 -940.950966 0.000119
AsF Arsenic monofluoride -2333.508656 -2333.508537 -0.000119
AsF Arsenic monofluoride -2333.508656 -2333.508537 -0.000119
PF6- Hexafluorophosphate ion -940.968499 -940.968381 -0.000119
Cl2 Chlorine diatomic -920.317077 -920.316958 -0.000119
Cl2 Chlorine diatomic -920.317077 -920.316958 -0.000119
BrCl- bromine chloride anion -3031.969477 -3031.969595 0.000118
SeF Selenium monofluoride -2489.452100 -2489.452218 0.000118
F3- trifluoride anion -299.382391 -299.382508 0.000117
ClF3 Chlorine trifluoride -759.678283 -759.678167 -0.000116
BrF+ bromine fluoride cation -2673.618038 -2673.617923 -0.000115
ClF3 Chlorine trifluoride -759.665313 -759.665199 -0.000114
C5H11 2-Methylbut-2-yl radical -197.110179 -197.110065 -0.000114
BrO Bromine monoxide -2646.810716 -2646.810829 0.000113
ICl Iodine monochloride -471.580026 -471.579914 -0.000113
CBr4 Carbon tetrabromide -10335.001911 -10335.002023 0.000112
Na2O disodium monoxide -399.787714 -399.787825 0.000111
Ne2+ Neon dimer cation -257.116458 -257.116569 0.000111
Ne2+ Neon dimer cation -257.116458 -257.116569 0.000111
ClF3 Chlorine trifluoride -759.672406 -759.672296 -0.000110
GeF Germanium monofluoride -2174.809164 -2174.809054 -0.000110
NBr3 Nitrogen Tribromide -7777.095815 -7777.095924 0.000110
SeF Selenium monofluoride -2501.466148 -2501.466039 -0.000109
SeF Selenium monofluoride -2501.461255 -2501.461147 -0.000108
C5H12 Propane, 2,2-dimethyl- -197.773090 -197.772982 -0.000108
SF5Cl sulfur chloropentafluoride -1357.577268 -1357.577376 0.000108
GaCl Gallium monochloride -2383.189310 -2383.189203 -0.000107
C3 carbon trimer -114.061667 -114.061561 -0.000106
F3- trifluoride anion -299.348164 -299.348269 0.000105
F3- trifluoride anion -299.459888 -299.459993 0.000105
TiCl Titanium Monochloride -1309.573797 -1309.573901 0.000104
TiCl Titanium Monochloride -1309.573797 -1309.573901 0.000104
SF5 Sulfur pentafluoride -897.515763 -897.515660 -0.000103
GaCl3 Gallium trichloride -3305.812882 -3305.812985 0.000103
GaCl3 Gallium trichloride -3305.810545 -3305.810648 0.000103
(CH3)3CC(CH3)3 tetramethylbutane -315.818359 -315.818256 -0.000103
As4 Arsenic tetramer -8943.659798 -8943.659695 -0.000103
As4 Arsenic tetramer -8943.654159 -8943.654056 -0.000103
(CH3)3CC(CH3)3 tetramethylbutane -314.004457 -314.004354 -0.000102
ClF5 chlorinepentafluoride -958.983562 -958.983664 0.000102
C7H12 Norbornane -274.065634 -274.065535 -0.000099
Ne2+ Neon dimer cation -257.210099 -257.210198 0.000099
BrO Bromine monoxide -2649.266836 -2649.266934 0.000099
BrF- bromine fluoride anion -2674.149536 -2674.149634 0.000098
GaAs Gallium arsenide -4160.685116 -4160.685019 -0.000098
GaAs Gallium arsenide -4160.689080 -4160.688982 -0.000097
GaAs Gallium arsenide -4160.725875 -4160.725778 -0.000097
GaAs Gallium arsenide -4160.729242 -4160.729144 -0.000097
F2 Fluorine diatomic -199.477834 -199.477737 -0.000096
F2 Fluorine diatomic -199.477834 -199.477737 -0.000096
PF6- Hexafluorophosphate ion -940.990649 -940.990553 -0.000096
HOBr+ Hypobromous acid cation -2647.082168 -2647.082264 0.000096
Ne2+ Neon dimer cation -257.150244 -257.150340 0.000096
KO+ Potassium monoxide cation -674.855499 -674.855404 -0.000095
ClF3 Chlorine trifluoride -759.638432 -759.638337 -0.000095
C6H12O6 Inositol -683.327113 -683.327207 0.000094
SF2- sulfur difluoride anion -597.986203 -597.986109 -0.000094
Ne2+ Neon dimer cation -257.142251 -257.142345 0.000094
GaN Gallium mononitride -1979.581309 -1979.581403 0.000094
LiF lithium fluoride -106.827504 -106.827597 0.000094
LiF lithium fluoride -106.827504 -106.827597 0.000094
GaN Gallium mononitride -1979.583504 -1979.583597 0.000093
BrO Bromine monoxide -2649.284255 -2649.284348 0.000093
SF2- sulfur difluoride anion -598.008776 -598.008684 -0.000092
SF5 Sulfur pentafluoride -897.528876 -897.528784 -0.000092
BrF5 bromine pentafluoride -3073.392289 -3073.392197 -0.000091
(CH3)3CC(CH3)3 tetramethylbutane -315.766623 -315.766533 -0.000090
KO+ Potassium monoxide cation -674.861069 -674.860978 -0.000090
TiCl Titanium Monochloride -1309.597736 -1309.597826 0.000090
GaH3 Gallium trihydride -1926.641889 -1926.641800 -0.000090
GaH3 Gallium trihydride -1926.640257 -1926.640168 -0.000090
SeF6 Selenium hexafluoride -3000.776750 -3000.776661 -0.000089
AsF Arsenic monofluoride -2335.770525 -2335.770436 -0.000089
TiCl Titanium Monochloride -1309.677398 -1309.677486 0.000088
SCl sulfur monochloride -854.178414 -854.178326 -0.000088
SCl sulfur monochloride -854.178414 -854.178326 -0.000088
SCl sulfur monochloride -854.178414 -854.178326 -0.000088
BrF+ bromine fluoride cation -2671.043355 -2671.043267 -0.000087
SF6 Sulfur Hexafluoride -997.440297 -997.440210 -0.000087
PF6- Hexafluorophosphate ion -940.715965 -940.716052 0.000087
SeF Selenium monofluoride -2501.414628 -2501.414541 -0.000087
K2 Potassium dimer -1199.799002 -1199.798915 -0.000087
TiCl Titanium Monochloride -1309.713180 -1309.713267 0.000087
TiCl Titanium Monochloride -1309.712405 -1309.712492 0.000087
K Potassium atom -599.926166 -599.926079 -0.000087
K Potassium atom -599.926166 -599.926079 -0.000087
TiCl Titanium Monochloride -1309.695860 -1309.695947 0.000086
K Potassium atom -599.926266 -599.926180 -0.000086
NBr3 Nitrogen Tribromide -7739.755405 -7739.755491 0.000086
TiCl Titanium Monochloride -1309.693190 -1309.693276 0.000086
GaF Gallium monofluoride -2024.791093 -2024.791008 -0.000085
GeH2- germylene anion -2078.279068 -2078.279153 0.000085
SF5 Sulfur pentafluoride -897.276384 -897.276469 0.000085
GeO2 Germanium dioxide -2227.553234 -2227.553319 0.000085
Ne2+ Neon dimer cation -257.241428 -257.241344 -0.000085
C6H4 (E)-Hexa-1,5-diyne-3-ene -230.881321 -230.881405 0.000084
GeH2- germylene anion -2078.272676 -2078.272761 0.000084
As2 Arsenic diatomic -4471.930854 -4471.930938 0.000084
Ne2+ Neon dimer cation -257.125611 -257.125695 0.000084
(CH3)3CC(CH3)3 tetramethylbutane -315.703574 -315.703490 -0.000084
GaF Gallium monofluoride -2022.822008 -2022.821924 -0.000084
Ga Gallium atom -1924.897458 -1924.897541 0.000082
Ga Gallium atom -1924.897179 -1924.897261 0.000082
Ga+ Gallium atom cation -1924.675589 -1924.675671 0.000082
Ga+ Gallium atom cation -1924.675528 -1924.675611 0.000082
Ga- Gallium atom anion -1924.896801 -1924.896884 0.000082
Ga- Gallium atom anion -1924.911834 -1924.911916 0.000082
ZnCl2 Zinc dichloride -2699.613666 -2699.613584 -0.000082
GaH+ Gallium monohydride cation -1925.128811 -1925.128729 -0.000082
TiCl Titanium Monochloride -1303.317211 -1303.317293 0.000082
CCl4 Carbon tetrachloride -1878.854167 -1878.854249 0.000082
GaF3 Gallium trifluoride -2224.515807 -2224.515726 -0.000082
GaAs Gallium arsenide -4156.604697 -4156.604616 -0.000082
GaAs Gallium arsenide -4156.604697 -4156.604616 -0.000082
GaAs Gallium arsenide -4156.645797 -4156.645715 -0.000082
GaAs Gallium arsenide -4156.645797 -4156.645715 -0.000082
GeCl4 Germanium Tetrachloride -3918.200980 -3918.201062 0.000082
CH3CONH2 Acetamide -209.302818 -209.302900 0.000081
GaH+ Gallium monohydride cation -1925.129061 -1925.128980 -0.000081
GaAs Gallium arsenide -4156.625054 -4156.624973 -0.000081
GaN Gallium mononitride -1979.534226 -1979.534307 0.000081
GaAs Gallium arsenide -4156.665448 -4156.665367 -0.000081
GeF2 Germanium difluoride -2274.741209 -2274.741290 0.000081
CaCl2 Calcium Chloride -1598.271344 -1598.271426 0.000081
GaN Gallium mononitride -1979.536487 -1979.536568 0.000081
Zn(CH3)2 dimethyl zinc -1859.347456 -1859.347537 0.000081
GaH Gallium monohydride -1925.440237 -1925.440156 -0.000081
C8H8 cubane -309.460466 -309.460385 -0.000081
GaH+ Gallium monohydride cation -1925.196514 -1925.196595 0.000081
(CH3)3CC(CH3)3 tetramethylbutane -315.734077 -315.733997 -0.000081
(CH3)3CC(CH3)3 tetramethylbutane -315.726321 -315.726240 -0.000081
GaH+ Gallium monohydride cation -1925.196247 -1925.196327 0.000080
GeH2 germylene -2078.236349 -2078.236429 0.000080
GaH Gallium monohydride -1925.441077 -1925.440997 -0.000080
Cl2 Chlorine diatomic -29.783232 -29.783152 -0.000080
Cl2 Chlorine diatomic -29.783232 -29.783152 -0.000080
K Potassium atom -599.926260 -599.926180 -0.000080
GaH Gallium monohydride -1925.508818 -1925.508898 0.000080
GaH Gallium monohydride -1925.509134 -1925.509214 0.000080
HOBr+ Hypobromous acid cation -2649.541236 -2649.541316 0.000079
(CH3)3CC(CH3)3 tetramethylbutane -315.700980 -315.700900 -0.000079
CaCl2 Calcium Chloride -1598.226646 -1598.226725 0.000079
GeO Germanium monoxide -2152.349100 -2152.349180 0.000079
Cl2 Chlorine diatomic -29.782197 -29.782118 -0.000079
Cl2 Chlorine diatomic -29.782197 -29.782118 -0.000079
Ne Neon atom -128.961856 -128.961778 -0.000079
Ne Neon atom -128.961856 -128.961778 -0.000079
SeF6 Selenium hexafluoride -3000.513536 -3000.513615 0.000079
GaF3 Gallium trifluoride -2224.556947 -2224.556869 -0.000079
BrCl- bromine chloride anion -3034.550783 -3034.550861 0.000078
SF5 Sulfur pentafluoride -897.239015 -897.239094 0.000078
KrF2 Krypton difluoride -2950.546614 -2950.546536 -0.000078
ZnS Zinc sulfide -2177.682753 -2177.682831 0.000078
GaN Gallium mononitride -1979.454312 -1979.454234 -0.000078
HOBr+ Hypobromous acid cation -2649.554310 -2649.554388 0.000077
CuH Copper monohydride -1641.189032 -1641.189109 0.000077
KH+ Potassium hydrogen cation -600.227148 -600.227071 -0.000077
ClOO chloroperoxy radical -610.463903 -610.463980 0.000077
ClOO chloroperoxy radical -610.463903 -610.463980 0.000077
GaO Gallium monoxide -2000.144623 -2000.144700 0.000077
GaH3 Gallium trihydride -1924.692330 -1924.692253 -0.000077
GaO Gallium monoxide -2000.147786 -2000.147863 0.000077
BrO Bromine monoxide -2649.322257 -2649.322333 0.000077
Ga- Gallium atom anion -1924.847054 -1924.846978 -0.000076
Ga+ Gallium atom cation -1924.610254 -1924.610178 -0.000076
Ga+ Gallium atom cation -1924.610115 -1924.610039 -0.000076
Ga Gallium atom -1924.831684 -1924.831608 -0.000076
Ga- Gallium atom anion -1924.826016 -1924.825940 -0.000076
Ga Gallium atom -1924.831039 -1924.830962 -0.000076
As4 Arsenic tetramer -8935.151085 -8935.151009 -0.000076
GaN Gallium mononitride -1979.448745 -1979.448669 -0.000076
GaF Gallium monofluoride -2024.774297 -2024.774221 -0.000076
AsF Arsenic monofluoride -2335.817966 -2335.817891 -0.000076
AsF Arsenic monofluoride -2335.817966 -2335.817891 -0.000076
SF5Cl sulfur chloropentafluoride -1357.446887 -1357.446962 0.000075
PF6- Hexafluorophosphate ion -940.778649 -940.778724 0.000075
ClF Chlorine monofluoride -560.036254 -560.036179 -0.000075
SeO- selenium monoxide anion -2474.561752 -2474.561826 0.000074
Ne Neon atom -128.894298 -128.894223 -0.000074
Ne Neon atom -128.894298 -128.894223 -0.000074
AsF Arsenic monofluoride -2335.772714 -2335.772640 -0.000074
BrOCl BrOCl -3107.000222 -3107.000296 0.000074
AsF Arsenic monofluoride -2335.813247 -2335.813173 -0.000074
AsF Arsenic monofluoride -2335.813247 -2335.813173 -0.000074
GeH germylidene -2077.617639 -2077.617712 0.000073
GeH germylidene -2077.617930 -2077.618003 0.000073
CBrClF2 Methane, bromochlorodifluoro- -3269.666962 -3269.667035 0.000073
CBrClF2 Methane, bromochlorodifluoro- -3269.666962 -3269.667035 0.000073
CBrClF2 Methane, bromochlorodifluoro- -3269.666962 -3269.667035 0.000073
CBrClF2 Methane, bromochlorodifluoro- -3269.666962 -3269.667035 0.000073
ClF- clorine monofluoride anion -560.137485 -560.137558 0.000073
C8H14 Bicyclo[2.2.2]octane -311.602767 -311.602694 -0.000073
KO+ Potassium monoxide cation -674.798437 -674.798364 -0.000073
AsF Arsenic monofluoride -2335.767770 -2335.767697 -0.000072
F2 Fluorine diatomic -199.498324 -199.498252 -0.000071
F2 Fluorine diatomic -199.498324 -199.498252 -0.000071
AsO Arsenic monoxide -2311.170462 -2311.170533 0.000071
C7H12 Norbornane -273.968491 -273.968419 -0.000071
ClF5 chlorinepentafluoride -959.281477 -959.281405 -0.000071
ClF3 Chlorine trifluoride -759.507435 -759.507365 -0.000070
GeH+ Germaniun monohyrdide cation -2077.331112 -2077.331182 0.000070
ClF Chlorine monofluoride -559.942766 -559.942696 -0.000070
GeH+ Germaniun monohyrdide cation -2077.330891 -2077.330961 0.000070
GeH3+ germyl cation -2078.543414 -2078.543484 0.000070
GeH3+ germyl cation -2078.543002 -2078.543072 0.000070
NBr nitrogen monobromide -2626.333803 -2626.333872 0.000069
C6H12 Cyclohexane -235.870053 -235.870122 0.000069
GaH3 Gallium trihydride -1926.714046 -1926.714115 0.000069
N Nitrogen atom -54.605666 -54.605735 0.000069
GaH3 Gallium trihydride -1926.714983 -1926.715053 0.000069
KO+ Potassium monoxide cation -674.795275 -674.795207 -0.000069
KO+ Potassium monoxide cation -674.795275 -674.795207 -0.000069
Ge+ Germanium cation -2076.714914 -2076.714983 0.000069
Ge+ Germanium cation -2076.715044 -2076.715112 0.000069
Ge- Germanium anion -2077.054172 -2077.054241 0.000069
Ge- Germanium anion -2077.044526 -2077.044595 0.000069
SF6 Sulfur Hexafluoride -997.106744 -997.106812 0.000068
GeS Germanium monosulfide -2475.349807 -2475.349874 0.000067
GeS Germanium monosulfide -2475.349071 -2475.349137 0.000067
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- -1235.315175 -1235.315109 -0.000066
GaAs Gallium arsenide -4160.743672 -4160.743605 -0.000066
Ge2 Germanium dimer -4149.908983 -4149.908917 -0.000066
CF3- Trifluoromethyl anion -335.733451 -335.733385 -0.000066
CF3- Trifluoromethyl anion -335.733451 -335.733385 -0.000066
HCCN cyanomethylene -130.698451 -130.698385 -0.000066
GaAs Gallium arsenide -4160.783491 -4160.783425 -0.000066
GeCl Germanium monochloride -2537.328849 -2537.328915 0.000066
Ti Titanium atom -57.961102 -57.961036 -0.000065
GaCl Gallium monochloride -2385.245381 -2385.245447 0.000065
GeH3CH3 methyl germane -2118.820905 -2118.820970 0.000065
GaH Gallium monohydride -1923.488972 -1923.488907 -0.000065
GeCl2 Germanium dichloride -2997.651951 -2997.652016 0.000064
GaCl Gallium monochloride -2385.246507 -2385.246571 0.000064
SeF6 Selenium hexafluoride -3000.650630 -3000.650566 -0.000064
GaN Gallium mononitride -1979.503629 -1979.503565 -0.000064
ZnO zinc monoxide -1854.639198 -1854.639261 0.000063
SeO- selenium monoxide anion -2476.889831 -2476.889894 0.000063
ZnO zinc monoxide -1854.633414 -1854.633477 0.000063
AsH3+ Arsine cation -2237.393677 -2237.393740 0.000063
CCl4 Carbon tetrachloride -1879.027331 -1879.027393 0.000062
GeH4 Germane -2079.481545 -2079.481607 0.000062
GeC Germanium monocarbide -2114.959458 -2114.959520 0.000062
NaF sodium fluoride -262.157399 -262.157461 0.000062
NaF sodium fluoride -262.157399 -262.157461 0.000062
Ga+ Gallium atom cation -1922.658760 -1922.658697 -0.000062
Ga- Gallium atom anion -1922.876667 -1922.876604 -0.000062
Ga Gallium atom -1922.879786 -1922.879724 -0.000062
H2Br+ protonated hydrogen bromide -2574.971181 -2574.971243 0.000062
GeH3 Germyl radical -2078.838337 -2078.838400 0.000062
NaF sodium fluoride -262.157399 -262.157461 0.000062
NaF sodium fluoride -262.157399 -262.157461 0.000062
ClF3 Chlorine trifluoride -759.465379 -759.465317 -0.000062
ClF3 Chlorine trifluoride -759.465379 -759.465317 -0.000062
GaH+ Gallium monohydride cation -1925.160396 -1925.160335 -0.000062
GaN Gallium mononitride -1977.498006 -1977.497944 -0.000061
IF Iodine monofluoride -111.193531 -111.193592 0.000061
GaN Gallium mononitride -1979.496552 -1979.496490 -0.000061
AsF5 Arsenic pentafluoride -2733.022869 -2733.022808 -0.000061
S8 Octasulfur -3185.872573 -3185.872512 -0.000061
Ar2 Argon dimer -1050.128327 -1050.128267 -0.000060
SeO Selenium monoxide -2476.792829 -2476.792889 0.000060
SeO Selenium monoxide -2476.834653 -2476.834714 0.000060
CHBrF2 Methane, bromodifluoro- -2810.078573 -2810.078633 0.000060
GaF3 Gallium trifluoride -2222.569349 -2222.569289 -0.000060
Ge2 Germanium dimer -4149.882802 -4149.882742 -0.000060
ZnCl Zinc monochloride -2239.316209 -2239.316149 -0.000060
SiF3 Silicon trifluoride radical -585.962197 -585.962137 -0.000060
CF3Br Bromotrifluoromethane -2909.323607 -2909.323667 0.000060
C8H14 Bicyclo[2.2.2]octane -313.400256 -313.400196 -0.000060
C8H14 Bicyclo[2.2.2]octane -313.400256 -313.400196 -0.000060
GaH+ Gallium monohydride cation -1923.176800 -1923.176741 -0.000059
C8H14 Bicyclo[2.2.2]octane -313.392751 -313.392692 -0.000059
Cl Chlorine atom -455.118129 -455.118188 0.000059
SeF6 Selenium hexafluoride -2998.420177 -2998.420235 0.000059
NBr nitrogen monobromide -2628.789655 -2628.789713 0.000058
SF Monosulfur monofluoride -497.948872 -497.948813 -0.000058
SF Monosulfur monofluoride -497.948872 -497.948813 -0.000058
GeS2 Germanium disulfide -2873.480320 -2873.480262 -0.000058
C9H20 Nonane -353.110246 -353.110188 -0.000058
GeS2 Germanium disulfide -2873.486698 -2873.486640 -0.000058
SF+ sulfur monofluoride cation -497.662952 -497.663010 0.000057
GaH+ Gallium monohydride cation -1923.183037 -1923.182980 -0.000057
AsO2 Aresenic dioxide -2386.399085 -2386.399142 0.000057
Cu Copper atom -1640.472257 -1640.472200 -0.000057
GaH+ Gallium monohydride cation -1923.180168 -1923.180111 -0.000057
GeS2 Germanium disulfide -2873.582487 -2873.582544 0.000057
GeS2 Germanium disulfide -2873.583666 -2873.583723 0.000057
NaO- sodium oxide anion -237.426945 -237.427002 0.000057
KH Potassium hydride -600.455300 -600.455243 -0.000057
GeH3 Germyl radical -2076.719840 -2076.719783 -0.000056
AsCl3 Arsenous trichloride -3599.233496 -3599.233440 -0.000056
AsO2 Aresenic dioxide -2386.404365 -2386.404422 0.000056
AlF Aluminum monofluoride -342.334211 -342.334155 -0.000056
C4H8O Furan, tetrahydro- -232.538094 -232.538038 -0.000056
C8H14 Bicyclo[2.2.2]octane -313.398172 -313.398116 -0.000056
AsH2+ Arsenic dihydride cation -2236.704168 -2236.704112 -0.000056
AsH2+ Arsenic dihydride cation -2236.705075 -2236.705019 -0.000056
GaO Gallium monoxide -2000.048277 -2000.048221 -0.000056
CuF2 Copper difluoride -1840.309379 -1840.309435 0.000056
C8H14 Bicyclo[2.2.2]octane -313.353336 -313.353280 -0.000055
TiCl Titanium Monochloride -1309.647546 -1309.647602 0.000055
F3- trifluoride anion -299.511186 -299.511131 -0.000055
Cl2 Chlorine diatomic -920.349934 -920.349879 -0.000055
Cl2 Chlorine diatomic -920.349934 -920.349879 -0.000055
H2Br+ protonated hydrogen bromide -2562.604280 -2562.604225 -0.000055
ScF3 Scandium trifluoride -1060.551443 -1060.551388 -0.000055
SF+ sulfur monofluoride cation -497.605115 -497.605169 0.000055
GeF Germanium monofluoride -2176.967863 -2176.967808 -0.000055
Si(CH3)4 tetramethylsilane -449.191778 -449.191724 -0.000055
C9H8 spiro[4.4]nona-1,3,6,8-tetraene -347.808026 -347.808081 0.000054
C8H14 Bicyclo[2.2.2]octane -313.315665 -313.315611 -0.000054
NBr nitrogen monobromide -2628.799912 -2628.799967 0.000054
C24H12 Coronene -921.951109 -921.951055 -0.000054
SeO2 Selenium dioxide -2552.077988 -2552.078042 0.000054
GeH3CH3 methyl germane -2116.691102 -2116.691048 -0.000054
C6H12O6 Inositol -687.424363 -687.424417 0.000054
C4H8O Furan, tetrahydro- -232.541633 -232.541579 -0.000054
C Carbon atom -37.860731 -37.860784 0.000054
C Carbon atom -37.860731 -37.860784 0.000054
ScF3 Scandium trifluoride -1060.653425 -1060.653371 -0.000054
GaO Gallium monoxide -2000.059326 -2000.059273 -0.000054
(CH3)3CC(CH3)3 tetramethylbutane -315.812215 -315.812162 -0.000053
Cl2 Chlorine diatomic -920.403814 -920.403760 -0.000053
F3- trifluoride anion -299.537788 -299.537734 -0.000053
Se2 Selenium diatomic -4803.243149 -4803.243202 0.000053
CHClBr2 Methane, dibromochloro- -5642.296851 -5642.296904 0.000053
C6H12O6 Inositol -687.419626 -687.419679 0.000053
C6H12O6 Inositol -687.419626 -687.419679 0.000053
Cl2 Chlorine diatomic -920.396810 -920.396757 -0.000053
Ga2H6 digallane -3853.309494 -3853.309441 -0.000053
Se2 Selenium diatomic -4803.274918 -4803.274970 0.000053
GeF4 Germanium tetrafluoride -2476.777138 -2476.777191 0.000053
SF+ sulfur monofluoride cation -497.578306 -497.578359 0.000053
Cl2 Chlorine diatomic -920.403813 -920.403760 -0.000052
SF2- sulfur difluoride anion -597.831365 -597.831313 -0.000052
SeO2 Selenium dioxide -2552.071702 -2552.071755 0.000052
Se2 Selenium diatomic -4803.274918 -4803.274970 0.000052
Cl2 Chlorine diatomic -920.396809 -920.396757 -0.000052
NaOCH3 Sodium methoxide -277.443332 -277.443384 0.000052
CuF2 Copper difluoride -1840.386211 -1840.386264 0.000052
C5H8O Cyclopentanone -270.673733 -270.673681 -0.000052
ZnS Zinc sulfide -2177.260836 -2177.260784 -0.000052
S2Cl2 Disulfur dichloride -1716.763769 -1716.763717 -0.000052
GeCl Germanium monochloride -2535.178155 -2535.178103 -0.000052
C24H12 Coronene -921.977913 -921.977862 -0.000051
C5H12S Propane, 2-methyl-2-(methylthio)- -596.067144 -596.067093 -0.000051
C5H8O Cyclopentanone -270.677311 -270.677260 -0.000051
C4F6 perfluorobutadiene -751.358946 -751.358895 -0.000051
Cl2 Chlorine diatomic -916.179552 -916.179501 -0.000051
Cl2 Chlorine diatomic -916.179552 -916.179501 -0.000051
S8 Octasulfur -3185.550545 -3185.550494 -0.000051
BrOBr Bromine oxide -5223.613708 -5223.613759 0.000051
SF+ sulfur monofluoride cation -497.520440 -497.520491 0.000051
BrCl Bromine monochloride -3034.446065 -3034.446014 -0.000051
S2Cl2 Disulfur dichloride -1716.758923 -1716.758872 -0.000051
C5H8O Cyclopentanone -269.093551 -269.093500 -0.000050
As+ Arsenic cation -2235.529201 -2235.529251 0.000050
As+ Arsenic cation -2235.529056 -2235.529106 0.000050
ScF3 Scandium trifluoride -1060.576208 -1060.576158 -0.000050
B4H10 Tetraborane(10) -105.380710 -105.380661 -0.000050
ScO Scandium monoxide -835.973254 -835.973204 -0.000050
GeS2 Germanium disulfide -2871.407282 -2871.407233 -0.000050
AsN Arsenic mononitride -2290.674974 -2290.675023 0.000049
C5H11Cl Pentane, 1-chloro- -657.482095 -657.482046 -0.000049
NaOCH3 Sodium methoxide -277.455329 -277.455378 0.000049
GeH3+ germyl cation -2078.469045 -2078.468996 -0.000049
C8H14 Bicyclo[2.2.2]octane -313.309505 -313.309456 -0.000049
LiF lithium fluoride -107.467731 -107.467780 0.000049
NaOCH3 Sodium methoxide -277.420359 -277.420408 0.000049
AsN Arsenic mononitride -2290.676919 -2290.676968 0.000049
C8H14 Bicyclo[2.2.2]octane -313.289955 -313.289906 -0.000049
C8H14 Bicyclo[2.2.2]octane -313.289955 -313.289906 -0.000049
C8H14 Bicyclo[2.2.2]octane -313.289955 -313.289906 -0.000049
C8H14 Bicyclo[2.2.2]octane -313.289955 -313.289906 -0.000049
C8H14 Bicyclo[2.2.2]octane -313.289955 -313.289906 -0.000049
As2 Arsenic diatomic -4467.518438 -4467.518389 -0.000049
AsH2+ Arsenic dihydride cation -2234.561653 -2234.561604 -0.000049
GeH2- germylene anion -2078.192719 -2078.192670 -0.000049
C6H12 (1r,3r)-1,3-dimethylcyclobutane -235.931586 -235.931538 -0.000049
GeS Germanium monosulfide -2475.264452 -2475.264403 -0.000049
GeH3+ germyl cation -2078.469726 -2078.469677 -0.000049
LiF lithium fluoride -107.445266 -107.445315 0.000048
SiF silicon monofluoride -389.304278 -389.304229 -0.000048
SiF silicon monofluoride -389.304278 -389.304229 -0.000048
F+ Fluorine atom cation -23.435592 -23.435544 -0.000048
AsH2 Arsenic dihydride -2234.909515 -2234.909467 -0.000048
F+ Fluorine atom cation -23.438335 -23.438287 -0.000048
GaN Gallium mononitride -1977.545347 -1977.545299 -0.000048
GeF2 Germanium difluoride -2276.815130 -2276.815178 0.000048
Ar2 Argon dimer -1055.034288 -1055.034240 -0.000048
Ar2 Argon dimer -1055.034288 -1055.034240 -0.000048
C5H11Cl Pentane, 1-chloro- -657.479933 -657.479885 -0.000048
ScF3 Scandium trifluoride -1060.659870 -1060.659822 -0.000048
F2 Fluorine diatomic -199.513379 -199.513331 -0.000048
F2 Fluorine diatomic -199.513379 -199.513331 -0.000048
B4H10 Tetraborane(10) -105.391943 -105.391895 -0.000048
NF3 Nitrogen trifluoride -354.071263 -354.071311 0.000048
Ne2 Neon dimer -257.932519 -257.932566 0.000048
AsP Arsenic monophosphide -2577.339925 -2577.339973 0.000048
C5H12S Propane, 2-methyl-2-(methylthio)- -595.955941 -595.955893 -0.000048
GeS Germanium monosulfide -2475.268628 -2475.268580 -0.000048
Ge+ Germanium cation -2076.647278 -2076.647230 -0.000048
C2F6 hexafluoroethane -675.254865 -675.254913 0.000048
Ge- Germanium anion -2076.987305 -2076.987257 -0.000048
AsP Arsenic monophosphide -2577.339108 -2577.339155 0.000048
Ge- Germanium anion -2076.967037 -2076.966989 -0.000048
Ge+ Germanium cation -2076.647571 -2076.647524 -0.000048
NC4H12+ tetramethyl ammonium cation -214.242685 -214.242637 -0.000048
BrO Bromine monoxide -2649.374060 -2649.374107 0.000047
C6H12N2 Triethylenediamine -60.798349 -60.798302 -0.000047
NaF sodium fluoride -262.184876 -262.184923 0.000047
C6H12N2 Triethylenediamine -345.329814 -345.329766 -0.000047
NaF sodium fluoride -262.184876 -262.184923 0.000047
KCl Potassium Chloride -1060.172006 -1060.171959 -0.000047
AsH3 Arsine -2237.753224 -2237.753271 0.000047
AsH3 Arsine -2237.752823 -2237.752870 0.000047
AsH3 Arsine -2237.753224 -2237.753271 0.000047
ScF3 Scandium trifluoride -1060.446609 -1060.446562 -0.000047
ScF3 Scandium trifluoride -1060.446609 -1060.446562 -0.000047
AsH3 Arsine -2237.752823 -2237.752870 0.000047
F2 Fluorine diatomic -199.517269 -199.517222 -0.000047
F2 Fluorine diatomic -199.517269 -199.517222 -0.000047
F2 Fluorine diatomic -199.517269 -199.517222 -0.000047
F2 Fluorine diatomic -199.517269 -199.517222 -0.000047
F+ Fluorine atom cation -23.432109 -23.432062 -0.000047
CF3- Trifluoromethyl anion -337.605879 -337.605926 0.000047
CF3- Trifluoromethyl anion -337.605879 -337.605926 0.000047
Zn Zinc atom -1779.312084 -1779.312037 -0.000047
Zn Zinc atom -1779.312084 -1779.312037 -0.000047
Zn Zinc atom -1779.312084 -1779.312037 -0.000047
Zn Zinc atom -1779.312084 -1779.312037 -0.000047
C6H12O6 Inositol -687.205911 -687.205958 0.000047
H3Se+ Hydrogen Selenide, protonated -2403.025382 -2403.025429 0.000047
C5H8O Cyclopentanone -270.670724 -270.670677 -0.000047
AsCl3 Arsenous trichloride -3616.759973 -3616.760020 0.000047
C8H18 Octane -315.833267 -315.833221 -0.000047
C5H8O Cyclopentanone -270.636683 -270.636637 -0.000047
N2F2 (Z)-Difluorodiazene -309.012460 -309.012413 -0.000047
SeO+ selenium monoxide cation -2476.457963 -2476.458010 0.000047
NC4H12+ tetramethyl ammonium cation -214.244037 -214.243991 -0.000047
F+ Fluorine atom cation -23.436611 -23.436565 -0.000047
Na+ Sodium atom cation -162.087568 -162.087522 -0.000046
CuF2 Copper difluoride -1840.337433 -1840.337479 0.000046
GaCl3 Gallium trichloride -3305.696848 -3305.696802 -0.000046
GaCl3 Gallium trichloride -3305.687614 -3305.687568 -0.000046
C9H20 Nonane -355.026674 -355.026628 -0.000046
HOBr+ Hypobromous acid cation -2649.649483 -2649.649529 0.000046
PF+ phosphorus monofluoride cation -440.871748 -440.871794 0.000046
GaO Gallium monoxide -1998.096686 -1998.096640 -0.000046
NaCl Sodium Chloride -622.560344 -622.560298 -0.000046
NaCl Sodium Chloride -622.560344 -622.560298 -0.000046
CF3- Trifluoromethyl anion -337.572503 -337.572549 0.000046
CF3- Trifluoromethyl anion -337.572503 -337.572549 0.000046
CF3- Trifluoromethyl anion -337.572503 -337.572549 0.000046
CF3- Trifluoromethyl anion -337.572503 -337.572549 0.000046
CF3- Trifluoromethyl anion -337.572503 -337.572549 0.000046
CF3- Trifluoromethyl anion -337.572503 -337.572549 0.000046
SF2- sulfur difluoride anion -597.802473 -597.802519 0.000046
HOBr+ Hypobromous acid cation -2649.651393 -2649.651438 0.000046
MgF Magnesium monofluoride -299.957640 -299.957594 -0.000046
C9H20 Nonane -355.054557 -355.054512 -0.000046
BrO Bromine monoxide -2649.378098 -2649.378144 0.000046
CuF2 Copper difluoride -1840.395627 -1840.395672 0.000046
OBrO OBrO -2724.552603 -2724.552648 0.000046
AsCl3 Arsenous trichloride -3616.757376 -3616.757422 0.000046
C7H14 cycloheptane -275.282469 -275.282515 0.000046
SF4 Sulfur tetrafluoride -797.692329 -797.692375 0.000046
ZnCH2 Zinc methylene -1818.293819 -1818.293774 -0.000045
C24H12 Coronene -921.897888 -921.897842 -0.000045
GeH2- germylene anion -2078.208048 -2078.208003 -0.000045
C9H20 Nonane -355.063399 -355.063353 -0.000045
KO+ Potassium monoxide cation -671.416655 -671.416700 0.000045
C4H8O Furan, tetrahydro- -232.449492 -232.449446 -0.000045
LiK Lithium Potassium -607.405451 -607.405406 -0.000045
LiF lithium fluoride -107.430386 -107.430431 0.000045
LiF lithium fluoride -107.430386 -107.430431 0.000045
CSe2 Carbon diselenide -4841.201261 -4841.201306 0.000045
C6H12O6 Inositol -687.118267 -687.118312 0.000045
SF5 Sulfur pentafluoride -897.348394 -897.348438 0.000045
C6H12 (1r,3r)-1,3-dimethylcyclobutane -235.867143 -235.867099 -0.000045
C7H14 cycloheptane -275.284228 -275.284273 0.000045
Zn(CH3)2 dimethyl zinc -1858.938499 -1858.938454 -0.000045
LiF- lithium fluoride anion -107.420475 -107.420520 0.000045
C6H12O6 Inositol -687.160590 -687.160634 0.000044
C6H12O6 Inositol -687.302507 -687.302551 0.000044
GeF2 Germanium difluoride -2276.781648 -2276.781692 0.000044
S2- sulfur dimer anion -796.416207 -796.416251 0.000044
BrOBr Bromine oxide -5218.522488 -5218.522532 0.000044
Li2O+ dilithium oxide cation -90.117432 -90.117387 -0.000044
C5H12S Propane, 2-(ethylthio)- -595.955802 -595.955758 -0.000044
Li2O+ dilithium oxide cation -90.117432 -90.117387 -0.000044
K Potassium atom -599.888666 -599.888621 -0.000044
K Potassium atom -599.890422 -599.890378 -0.000044
K Potassium atom -599.890456 -599.890412 -0.000044
K Potassium atom -599.890422 -599.890378 -0.000044
K Potassium atom -599.891903 -599.891859 -0.000044
K- Potassium atom anion -599.907029 -599.906985 -0.000044
BrOCl BrOCl -3109.604798 -3109.604842 0.000044
C6H12 (1r,3r)-1,3-dimethylcyclobutane -235.845500 -235.845456 -0.000044
C10H8 Azulene -383.711551 -383.711595 0.000044
C5H8O Cyclopentanone -270.606724 -270.606680 -0.000044
K+ Potassium atom cation -599.724989 -599.724945 -0.000044
SCl+ sulfur monochloride cation -857.934342 -857.934385 0.000044
Cu+ Copper atom cation -1639.860921 -1639.860877 -0.000044
B4H10 Tetraborane(10) -105.402446 -105.402402 -0.000044
As(CH3)3 trimethyl arsine -2355.755844 -2355.755887 0.000043
AsO2 Aresenic dioxide -2386.287501 -2386.287458 -0.000043
GeCl4 Germanium Tetrachloride -3915.937067 -3915.937023 -0.000043
GeF4 Germanium tetrafluoride -2474.497105 -2474.497062 -0.000043
NaK Sodium Potassium -762.193156 -762.193113 -0.000043
GeC Germanium monocarbide -2112.840708 -2112.840665 -0.000043
PF phosphorus monofluoride -441.141751 -441.141709 -0.000043
SF4 Sulfur tetrafluoride -797.704945 -797.704988 0.000043
C4H8O Furan, tetrahydro- -232.469812 -232.469770 -0.000043
LiF lithium fluoride -107.434885 -107.434927 0.000043
LiF lithium fluoride -107.434885 -107.434927 0.000043
C5H11Cl Pentane, 1-chloro- -657.367678 -657.367636 -0.000043
B4H10 Tetraborane(10) -105.400771 -105.400729 -0.000043
C9H20 Nonane -355.100916 -355.100874 -0.000043
NC4H12+ tetramethyl ammonium cation -214.165220 -214.165178 -0.000042
C5H8O Cyclopentanone -270.595630 -270.595587 -0.000042
SCl+ sulfur monochloride cation -857.981020 -857.981062 0.000042
C7H8 Norbornadiene -271.575782 -271.575825 0.000042
GeS Germanium monosulfide -2473.227315 -2473.227273 -0.000042
CBr2F2 Methane, dibromodifluoro- -5381.175349 -5381.175391 0.000042
C5H8O Cyclopentanone -270.572862 -270.572820 -0.000042
F2 Fluorine diatomic -199.535407 -199.535365 -0.000042
F2 Fluorine diatomic -199.535407 -199.535365 -0.000042
F2 Fluorine diatomic -199.498294 -199.498252 -0.000042
F2 Fluorine diatomic -199.498294 -199.498252 -0.000042
F2 Fluorine diatomic -199.498294 -199.498252 -0.000042
F2 Fluorine diatomic -199.498294 -199.498252 -0.000042
B4H10 Tetraborane(10) -105.404660 -105.404619 -0.000042
KO Potassium monoxide -675.029539 -675.029581 0.000042
KO Potassium monoxide -675.029539 -675.029581 0.000042
AsH3 Arsine -2237.677078 -2237.677036 -0.000042
C5H8O Cyclopentanone -270.584192 -270.584150 -0.000042
SF Monosulfur monofluoride -495.451565 -495.451524 -0.000042
SF Monosulfur monofluoride -495.451565 -495.451524 -0.000042
GeS Germanium monosulfide -2473.206418 -2473.206376 -0.000042
GeS Germanium monosulfide -2473.206418 -2473.206376 -0.000042
SF- sulfur monofluoride anion -498.011920 -498.011878 -0.000042
ZnH2 Zinc hydride -1780.268625 -1780.268583 -0.000041
AsH Arsenic monohydride -2236.458382 -2236.458423 0.000041
CF3COF trifluoroacetyl fluoride -547.779313 -547.779271 -0.000041
TiO Titanium monoxide -924.708433 -924.708391 -0.000041
AsH3 Arsine -2237.677078 -2237.677036 -0.000041
C4H8O2 Ethene, 1,1-dimethoxy- -307.770960 -307.770918 -0.000041
C5H10S Thiophene, tetrahydro-2-methyl- -594.861076 -594.861035 -0.000041
H3Se+ Hydrogen Selenide, protonated -2403.115241 -2403.115282 0.000041
H3Se+ Hydrogen Selenide, protonated -2403.114652 -2403.114694 0.000041
AsH3 Arsine -2237.679280 -2237.679239 -0.000041
AsH Arsenic monohydride -2236.459236 -2236.459277 0.000041
S8 Octasulfur -3185.867655 -3185.867614 -0.000041
AsH Arsenic monohydride -2236.505651 -2236.505692 0.000041
B4H10 Tetraborane(10) -105.431144 -105.431103 -0.000041
C9H20 Nonane -355.159194 -355.159153 -0.000041
Li2O dilithium oxide -90.352110 -90.352151 0.000041
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane -1395.944383 -1395.944424 0.000041
AsH3 Arsine -2237.679279 -2237.679239 -0.000041
CF3Cl Methane, chlorotrifluoro- -797.816720 -797.816761 0.000041
B4H10 Tetraborane(10) -105.431912 -105.431871 -0.000041
Ar2 Argon dimer -1055.097740 -1055.097781 0.000041
AsH2 Arsenic dihydride -2237.126173 -2237.126214 0.000041
PF+ phosphorus monofluoride cation -440.791336 -440.791376 0.000041
B4H10 Tetraborane(10) -105.388820 -105.388780 -0.000040
Cl2+ chlorine diatomic cation -919.926599 -919.926639 0.000040
C6H12 (1r,3r)-1,3-dimethylcyclobutane -235.850504 -235.850464 -0.000040
AsH+ Arsenic monohydride cation -2236.149648 -2236.149688 0.000040
AsH+ Arsenic monohydride cation -2236.149352 -2236.149392 0.000040
GeH+ Germaniun monohyrdide cation -2077.261595 -2077.261555 -0.000040
GeH+ Germaniun monohyrdide cation -2077.261167 -2077.261127 -0.000040
H2Se Hydrogen selenide -2402.834209 -2402.834249 0.000040
B4H10 Tetraborane(10) -105.426005 -105.425965 -0.000040
CF3- Trifluoromethyl anion -337.676471 -337.676511 0.000040
CF3- Trifluoromethyl anion -337.676471 -337.676511 0.000040
H2Se Hydrogen selenide -2402.834933 -2402.834973 0.000040
Se Selenium atom -2401.491926 -2401.491966 0.000040
C9H20 Nonane -355.031498 -355.031458 -0.000040
C5H12S 1-Pentanethiol -596.070236 -596.070197 -0.000040
C6H12N2 Triethylenediamine -345.329805 -345.329765 -0.000040
IF Iodine monofluoride -111.223360 -111.223320 -0.000040
CF3CF2Cl pentafluorochloroethane -1035.599325 -1035.599364 0.000040
C7H14 cycloheptane -275.208609 -275.208649 0.000039
ScO Scandium monoxide -835.976044 -835.976005 -0.000039
C5H8O Cyclopentanone -270.585365 -270.585326 -0.000039
ClONO2 Chlorine nitrate -740.409432 -740.409471 0.000039
C8H14 Bicyclo[2.2.2]octane -313.299595 -313.299556 -0.000039
SiF2 Silicon difluoride -489.258580 -489.258541 -0.000039
Si(CH3)4 tetramethylsilane -449.294185 -449.294145 -0.000039
CSe2 Carbon diselenide -4841.213119 -4841.213080 -0.000039
AsO2 Aresenic dioxide -2386.259941 -2386.259902 -0.000039
CH3SeH Methane selenol -2442.161424 -2442.161463 0.000039
Ar2 Argon dimer -1055.039739 -1055.039778 0.000039
AsF3 Arsenic trifluoride -2533.351854 -2533.351814 -0.000039
ZnCH2 Zinc methylene -1818.306436 -1818.306396 -0.000039
AsH2+ Arsenic dihydride cation -2236.777309 -2236.777348 0.000039
AsH2+ Arsenic dihydride cation -2236.776889 -2236.776928 0.000039
ZnCN Zinc monocyanide -1871.912757 -1871.912718 -0.000039
F2+ flourine diatomic cation -199.016236 -199.016275 0.000039
CF3- Trifluoromethyl anion -337.700082 -337.700121 0.000039
CF3- Trifluoromethyl anion -337.700082 -337.700121 0.000039
C9H20 Nonane -355.151519 -355.151480 -0.000039
CF3- Trifluoromethyl anion -337.648109 -337.648147 0.000039
CF3- Trifluoromethyl anion -337.648109 -337.648147 0.000039
CH3SeH Methane selenol -2442.162328 -2442.162367 0.000039
CH3COCH3- acetone anion -193.166477 -193.166515 0.000039
CSe2 Carbon diselenide -4841.218041 -4841.218003 -0.000038
SiF+ silicon monofluoride cation -389.108920 -389.108958 0.000038
Se2- selenium dimer anion -4803.345555 -4803.345593 0.000038
C8H18 Octane -315.712946 -315.712908 -0.000038
C7H14 cycloheptane -275.189659 -275.189697 0.000038
Cl2+ chlorine diatomic cation -920.017813 -920.017851 0.000038
GeH germylidene -2077.548818 -2077.548780 -0.000038
CF3 Trifluoromethyl radical -337.550988 -337.551026 0.000038
CF3 Trifluoromethyl radical -337.550988 -337.551026 0.000038
ClO Monochlorine monoxide -535.292230 -535.292268 0.000038
ClO Monochlorine monoxide -535.292230 -535.292268 0.000038
C14H10 Anthracene -539.530523 -539.530486 -0.000038
CSe2 Carbon diselenide -4836.845638 -4836.845600 -0.000038
CSe2 Carbon diselenide -4836.845638 -4836.845600 -0.000038
C9H8 spiro[4.4]nona-1,3,6,8-tetraene -347.684680 -347.684718 0.000038
SCl sulfur monochloride -858.337560 -858.337598 0.000038
SCl sulfur monochloride -858.337560 -858.337598 0.000038
SCl sulfur monochloride -858.337560 -858.337598 0.000038
SCl sulfur monochloride -858.337560 -858.337598 0.000038
SCl sulfur monochloride -858.337560 -858.337598 0.000038
SCl sulfur monochloride -858.337560 -858.337598 0.000038
SCl sulfur monochloride -858.337560 -858.337598 0.000038
SCl sulfur monochloride -858.337560 -858.337598 0.000038
SCl sulfur monochloride -858.337560 -858.337598 0.000038
NF2+ Difluoroamino cation -253.837037 -253.837074 0.000038
Cl3- trichloride anion -1380.786791 -1380.786828 0.000038
ScO Scandium monoxide -835.994636 -835.994599 -0.000037
CSe2 Carbon diselenide -4836.907324 -4836.907287 -0.000037
HSe+ selenium monohydride cation -2401.753089 -2401.753126 0.000037
HSe+ selenium monohydride cation -2401.753089 -2401.753126 0.000037
GeH germylidene -2077.547503 -2077.547466 -0.000037
ScO Scandium monoxide -835.972104 -835.972066 -0.000037
Mg Magnesium atom -200.079396 -200.079359 -0.000037
Mg Magnesium atom -200.079396 -200.079359 -0.000037
Mg Magnesium atom -200.079396 -200.079359 -0.000037
Mg Magnesium atom -200.079396 -200.079359 -0.000037
Se Selenium atom -2401.489839 -2401.489876 0.000037
Se Selenium atom -2401.489839 -2401.489876 0.000037
SF2 sulfur difluoride -597.798134 -597.798097 -0.000037
SeOCl2 selenium oxychloride -3397.345391 -3397.345427 0.000037
SCl sulfur monochloride -858.340060 -858.340097 0.000037
SCl sulfur monochloride -858.340060 -858.340097 0.000037
SCl sulfur monochloride -858.340060 -858.340097 0.000037
Br2+ bromine diatomic cation -5143.014476 -5143.014513 0.000037
BrO- Bromine monoxide anion -2649.464663 -2649.464699 0.000037
C7H14 cycloheptane -275.183463 -275.183500 0.000037
S2Cl2 Disulfur dichloride -1716.925032 -1716.924996 -0.000037
ScO Scandium monoxide -835.996335 -835.996299 -0.000036
LiO lithium oxide -82.228370 -82.228407 0.000036
C2H4- Ethylene anion -78.603130 -78.603094 -0.000036
C8H16 cyclooctane -314.603235 -314.603199 -0.000036
Zn Zinc atom -1779.090205 -1779.090169 -0.000036
Zn Zinc atom -1779.090205 -1779.090169 -0.000036
Zn Zinc atom -1779.090205 -1779.090169 -0.000036
Zn Zinc atom -1779.090205 -1779.090169 -0.000036
Zn Zinc atom -1779.090205 -1779.090169 -0.000036
Zn Zinc atom -1779.090205 -1779.090169 -0.000036
Zn Zinc atom -1779.182036 -1779.182000 -0.000036
Zn Zinc atom -1779.182036 -1779.182000 -0.000036
O Oxygen atom -15.829639 -15.829675 0.000036
AsF3 Arsenic trifluoride -2535.701697 -2535.701733 0.000036
HSe Selenium monohydride -2402.198862 -2402.198898 0.000036
SeO3 selenium trioxide -2627.250879 -2627.250915 0.000036
Ne Neon atom -128.950900 -128.950865 -0.000036
Ne Neon atom -128.950900 -128.950865 -0.000036
AsH3 Arsine -2235.537479 -2235.537444 -0.000036
AsH3 Arsine -2235.537479 -2235.537444 -0.000036
AsH3 Arsine -2235.537479 -2235.537444 -0.000036
Ge+ Germanium cation -2074.604051 -2074.604016 -0.000036
Ge Germanium atom -2074.894259 -2074.894223 -0.000036
Ge- Germanium anion -2074.925494 -2074.925459 -0.000036
AsH3 Arsine -2235.537479 -2235.537444 -0.000036
C2H5Br Ethyl bromide -2653.492031 -2653.492066 0.000036
Ne2 Neon dimer -257.789765 -257.789730 -0.000036
S2F2 Thio-thionyl fluoride -996.002215 -996.002180 -0.000035
S2F2 Thio-thionyl fluoride -996.002215 -996.002180 -0.000035
S2F2 Thio-thionyl fluoride -996.002215 -996.002180 -0.000035
S2F2 Thio-thionyl fluoride -996.002215 -996.002180 -0.000035
HSe Selenium monohydride -2402.198862 -2402.198898 0.000035
CH6N3+ guanidinium -205.856891 -205.856856 -0.000035
C6H12N2 Triethylenediamine -60.909181 -60.909145 -0.000035
SeS- selenium monosulfide anion -2799.922640 -2799.922675 0.000035
GeH2- germylene anion -2076.148559 -2076.148524 -0.000035
ZnH Zinc monohydride -1779.636268 -1779.636233 -0.000035
BrF- bromine fluoride anion -2671.535978 -2671.536013 0.000035
HSe- selenium monohydride anion -2402.284992 -2402.285027 0.000035
ScF3 Scandium trifluoride -1055.191512 -1055.191477 -0.000035
C5H10S Thiophene, tetrahydro-2-methyl- -594.752329 -594.752294 -0.000035
GeH3+ germyl cation -2076.424493 -2076.424458 -0.000035
Cl2 Chlorine diatomic -920.400200 -920.400165 -0.000035
Cl2 Chlorine diatomic -920.400200 -920.400165 -0.000035
SeO3 selenium trioxide -2627.244546 -2627.244580 0.000035
CHF3 Methane, trifluoro- -338.225922 -338.225957 0.000035
MgF+ magnesium fluoride cation -299.665082 -299.665117 0.000035
MgF+ magnesium fluoride cation -299.665082 -299.665117 0.000035
MgF+ magnesium fluoride cation -299.665082 -299.665117 0.000035
MgF+ magnesium fluoride cation -299.665082 -299.665117 0.000035
MgF+ magnesium fluoride cation -299.665082 -299.665117 0.000035
MgF+ magnesium fluoride cation -299.665082 -299.665117 0.000035
NC4H12+ tetramethyl ammonium cation -214.179570 -214.179536 -0.000035
FO- flourine oxide anion -174.905374 -174.905340 -0.000035
ScF3 Scandium trifluoride -1060.489587 -1060.489552 -0.000035
GeH+ Germaniun monohyrdide cation -2075.235256 -2075.235222 -0.000035
ZnCH3 Zinc monomethyl -1818.974290 -1818.974256 -0.000034
NF3- Nitrogen trifluoride anion -354.078409 -354.078444 0.000034
C6H12N2 Triethylenediamine -345.262250 -345.262216 -0.000034
O Oxygen atom -15.831641 -15.831675 0.000034
AsH Arsenic monohydride -2236.387952 -2236.387918 -0.000034
BrO- Bromine monoxide anion -2649.372717 -2649.372752 0.000034
AsH+ Arsenic monohydride cation -2236.078540 -2236.078506 -0.000034
AsH+ Arsenic monohydride cation -2236.079237 -2236.079203 -0.000034
Na Sodium atom -162.286744 -162.286778 0.000034
GeH+ Germaniun monohyrdide cation -2075.221278 -2075.221244 -0.000034
ClO4- perchlorate anion -761.030276 -761.030310 0.000034
AsH Arsenic monohydride -2236.383780 -2236.383746 -0.000034
Ne2+ Neon dimer cation -257.226470 -257.226504 0.000034
C6H12N2 Triethylenediamine -345.262542 -345.262508 -0.000034
O Oxygen atom -15.830212 -15.830246 0.000034
VO Vanadium monoxide -1019.239395 -1019.239361 -0.000034
C5H12S 1-Pentanethiol -595.954241 -595.954207 -0.000034
C Carbon atom -5.406736 -5.406769 0.000034
C12H8 biphenylene -462.078056 -462.078023 -0.000033
SCl+ sulfur monochloride cation -858.065579 -858.065613 0.000033
F3NO Nitrogen trifluoride oxide -429.246725 -429.246758 0.000033
SiF3 Silicon trifluoride radical -589.153616 -589.153583 -0.000033
B4H10 Tetraborane(10) -104.788730 -104.788697 -0.000033
ScF3 Scandium trifluoride -1060.567569 -1060.567536 -0.000033
SF5Cl sulfur chloropentafluoride -1357.766824 -1357.766791 -0.000033
PF6- Hexafluorophosphate ion -940.865778 -940.865745 -0.000033
AsCl3 Arsenous trichloride -3616.671092 -3616.671059 -0.000033
ClFO3 Perchloryl fluoride -785.311760 -785.311793 0.000033
NaCN Sodium Cyanide -253.622296 -253.622329 0.000033
GeH2 germylene -2076.119921 -2076.119888 -0.000033
C4H2 Diacetylene -153.495749 -153.495782 0.000033
C4H2 Diacetylene -153.495749 -153.495782 0.000033
ClO Monochlorine monoxide -535.371808 -535.371841 0.000032
ClO Monochlorine monoxide -535.371808 -535.371841 0.000032
C2H5Br Ethyl bromide -2653.493067 -2653.493099 0.000032
Cl Chlorine atom -458.051040 -458.051008 -0.000032
C5H12O 2-Butanol, 3-methyl- -273.097346 -273.097314 -0.000032
NCl- nitrogen monochloride anion -514.916174 -514.916207 0.000032
KO Potassium monoxide -675.055326 -675.055358 0.000032
F2 Fluorine diatomic -199.586364 -199.586396 0.000032
F2 Fluorine diatomic -199.586364 -199.586396 0.000032
GaCl3 Gallium trichloride -3303.681327 -3303.681295 -0.000032
NaCN Sodium Cyanide -255.170747 -255.170779 0.000032
CH3CBr3 1,1,1-tribromoethane -7793.129082 -7793.129114 0.000032
SCl+ sulfur monochloride cation -858.019818 -858.019850 0.000032
C5H9N 1,2,3,6-Tetrahydropyridine -250.670863 -250.670831 -0.000032
O Oxygen atom -15.828236 -15.828268 0.000032
CF3CN Acetonitrile, trifluoro- -430.446509 -430.446541 0.000032
S2- sulfur dimer anion -796.501684 -796.501716 0.000032
Si Silicon atom -289.372088 -289.372056 -0.000032
NO3- nitrate anion -278.725648 -278.725680 0.000032
C6H12O6 Inositol -687.189596 -687.189628 0.000032
C+ Carbon atom cation -4.989046 -4.989078 0.000032
B2F4 Diboron tetrafluoride -449.293441 -449.293473 0.000032
SiF2+ Silicon difluoride cation -486.246850 -486.246882 0.000032
F2 Fluorine diatomic -48.212133 -48.212165 0.000032
F2 Fluorine diatomic -48.212133 -48.212165 0.000032
PO4--- phosphate -641.812387 -641.812356 -0.000032
Cl2- chlorine diatomic anion -920.451905 -920.451937 0.000032
Cl2- chlorine diatomic anion -920.451905 -920.451937 0.000032
Cl2- chlorine diatomic anion -920.451905 -920.451937 0.000032
Cl2- chlorine diatomic anion -920.451905 -920.451937 0.000032
AlF+ Aluminum monofluoride cation -342.049033 -342.049065 0.000032
F2 Fluorine diatomic -48.215437 -48.215468 0.000031
F2 Fluorine diatomic -48.215437 -48.215468 0.000031
KBr Potassium Bromide -3171.687330 -3171.687299 -0.000031
C8H16 cyclooctane -314.490384 -314.490353 -0.000031
Cl Chlorine atom -457.945764 -457.945733 -0.000031
LiF lithium fluoride -107.417600 -107.417631 0.000031
LiF lithium fluoride -107.417600 -107.417631 0.000031
Br2- bromine diatomic anion -5143.486715 -5143.486746 0.000031
BrONO2 Bromine nitrate -2854.454110 -2854.454141 0.000031
NaCN Sodium Cyanide -255.161018 -255.161049 0.000031
LiF lithium fluoride -107.417600 -107.417631 0.000031
LiF lithium fluoride -107.417600 -107.417631 0.000031
BrO- Bromine monoxide anion -2649.316490 -2649.316459 -0.000031
C4H6(CH3)2 dimethylcyclobutane -235.932958 -235.932927 -0.000031
NBr3 Nitrogen Tribromide -7777.204257 -7777.204288 0.000031
NaCl- sodium chloride anion -622.588475 -622.588444 -0.000031
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane -1396.228328 -1396.228359 0.000031
KO Potassium monoxide -675.101553 -675.101522 -0.000031
CF3 Trifluoromethyl radical -337.550995 -337.551026 0.000031
CF3 Trifluoromethyl radical -337.550995 -337.551026 0.000031
F2 Fluorine diatomic -199.591398 -199.591429 0.000031
F2 Fluorine diatomic -199.591398 -199.591429 0.000031
GeH germylidene -2075.522730 -2075.522700 -0.000030
SO2 Sulfur dioxide -545.912569 -545.912539 -0.000030
GeCl2 Germanium dichloride -2995.462621 -2995.462591 -0.000030
C6H14 Butane, 2,2-dimethyl- -237.083702 -237.083672 -0.000030
GeH germylidene -2075.507789 -2075.507758 -0.000030
Ne+ Neon atom cation -34.055864 -34.055894 0.000030
Ne+ Neon atom cation -34.052609 -34.052639 0.000030
Cu Copper atom -1640.472230 -1640.472200 -0.000030
BF3+ boron trifluoride cation -324.037590 -324.037620 0.000030
SeO+ selenium monoxide cation -2474.162299 -2474.162329 0.000030
COHBr COHBr -2685.623895 -2685.623925 0.000030
SO2 Sulfur dioxide -548.472433 -548.472463 0.000030
SCl sulfur monochloride -858.420285 -858.420314 0.000030
C5H12O 2-Butanol, 3-methyl- -272.979782 -272.979752 -0.000030
C Carbon atom -5.407221 -5.407251 0.000030
C5H9N 1,2,3,6-Tetrahydropyridine -250.769127 -250.769097 -0.000030
Se2+ selenium dimer cation -4802.941016 -4802.941045 0.000030
C12H8 biphenylene -462.059469 -462.059439 -0.000030
ScO Scandium monoxide -835.935281 -835.935251 -0.000030
NCl- nitrogen monochloride anion -514.823348 -514.823378 0.000030
MgCl magnesium monochloride -660.328689 -660.328659 -0.000030
CH3COCH3- acetone anion -193.224014 -193.224044 0.000030
C5H12S 2-Butanethiol, 3-methyl- -595.952788 -595.952758 -0.000030
SiF+ silicon monofluoride cation -389.034752 -389.034781 0.000030
SCl sulfur monochloride -858.421634 -858.421664 0.000030
C5H12S 2-Butanethiol, 3-methyl- -596.068416 -596.068387 -0.000030
SCl sulfur monochloride -858.421634 -858.421663 0.000030
GeH+ Germaniun monohyrdide cation -2077.291118 -2077.291088 -0.000029
C+ Carbon atom cation -4.987532 -4.987561 0.000029
SCl sulfur monochloride -858.421634 -858.421664 0.000029
SCl sulfur monochloride -858.418998 -858.419027 0.000029
SCl sulfur monochloride -858.421634 -858.421663 0.000029
SCl sulfur monochloride -858.418998 -858.419027 0.000029
SeS+ selenium monosulfide cation -2799.512434 -2799.512464 0.000029
CCl3+ Trichloromethyl cation -1418.325609 -1418.325580 -0.000029
AsO2 Aresenic dioxide -2384.122981 -2384.122952 -0.000029
CH2ClCHCHCH3 2-Butene, 1-chloro- -616.920346 -616.920317 -0.000029
SCl sulfur monochloride -858.417645 -858.417674 0.000029
SCl sulfur monochloride -858.417645 -858.417674 0.000029
NBr nitrogen monobromide -2628.882152 -2628.882182 0.000029
NaCN Sodium Cyanide -253.622793 -253.622822 0.000029
ClNO2 Nitryl chloride -665.261237 -665.261266 0.000029
NaF sodium fluoride -262.186065 -262.186094 0.000029
NaF sodium fluoride -262.186065 -262.186094 0.000029
SCl sulfur monochloride -858.420285 -858.420314 0.000029
ClF3 Chlorine trifluoride -755.599757 -755.599728 -0.000029
C2H5SC2H5 Diethyl sulfide -556.740078 -556.740107 0.000029
NaF sodium fluoride -262.233105 -262.233076 -0.000029
NaF sodium fluoride -262.233105 -262.233076 -0.000029
HBr+ hydrogen bromide cation -2571.871661 -2571.871690 0.000029
H2Br+ protonated hydrogen bromide -2575.014623 -2575.014652 0.000029
CSe- Carbon monoselenide anion -2439.674515 -2439.674544 0.000029
C6H10 2,4-Hexadiene, (E,Z)- -234.722376 -234.722347 -0.000029
BrONO2 Bromine nitrate -2851.932136 -2851.932165 0.000029
BrONO2 Bromine nitrate -2851.932136 -2851.932165 0.000029
BBr3 Boron tribromide -7740.076454 -7740.076483 0.000029
AlF+ Aluminum monofluoride cation -341.979983 -341.980012 0.000029
CHBr3 bromoform -7761.394160 -7761.394188 0.000029
MgF+ magnesium fluoride cation -297.970413 -297.970442 0.000029
MgF+ magnesium fluoride cation -297.970413 -297.970442 0.000029
C8H7N Indole -363.951603 -363.951574 -0.000029
C12H8 biphenylene -462.032000 -462.031972 -0.000029
ClNO2 Nitryl chloride -665.272712 -665.272741 0.000029
SCl sulfur monochloride -858.418998 -858.419027 0.000029
SCl sulfur monochloride -858.421137 -858.421165 0.000029
CH3CCl2CH3 Propane, 2,2-dichloro- -1038.457579 -1038.457550 -0.000029
C Carbon atom -5.406040 -5.406069 0.000029
C7H16 heptane -276.505216 -276.505187 -0.000029
C4H6OS Dihydro-2-(3H)-thiophenone -629.586975 -629.586946 -0.000029
SCl sulfur monochloride -858.417646 -858.417674 0.000029
LiF- lithium fluoride anion -107.493396 -107.493368 -0.000029
SCl sulfur monochloride -858.417646 -858.417674 0.000029
BCl3 Borane, trichloro- -1405.562669 -1405.562640 -0.000028
CH2ClCHCHCH3 2-Butene, 1-chloro- -616.860262 -616.860234 -0.000028
CHBr3 bromoform -7761.395814 -7761.395842 0.000028
B2Cl4 Diboron tetrachloride -1890.747933 -1890.747962 0.000028
SF2 sulfur difluoride -597.824705 -597.824677 -0.000028
NaO sodium monoxide -236.011874 -236.011903 0.000028
H2Se+ Hydrogen selenide cation -2402.472311 -2402.472339 0.000028
CH3CF3 Ethane, 1,1,1-trifluoro- -377.554903 -377.554931 0.000028
Cl2CS Thiophosgene -1356.734728 -1356.734757 0.000028
CH2ClCHCHCH3 2-Butene, 1-chloro- -613.767242 -613.767214 -0.000028
SeO Selenium monoxide -2474.491301 -2474.491329 0.000028
CH3CHCl2 Ethane, 1,1-dichloro- -999.126028 -999.126000 -0.000028
SiF3 Silicon trifluoride radical -589.197578 -589.197550 -0.000028
Cu Copper atom -1640.316037 -1640.316009 -0.000028
SO2 Sulfur dioxide -548.625887 -548.625915 0.000028
PF3 Phosphorus trifluoride -641.136308 -641.136335 0.000028
SeO3 selenium trioxide -2624.881106 -2624.881134 0.000028
C7H16 heptane -276.503603 -276.503575 -0.000028
NBr nitrogen monobromide -2628.884359 -2628.884387 0.000028
Cl3- trichloride anion -1380.663168 -1380.663140 -0.000028
HSe+ selenium monohydride cation -2401.836619 -2401.836647 0.000028
SF2- sulfur difluoride anion -597.956953 -597.956980 0.000028
HSe+ selenium monohydride cation -2401.836959 -2401.836987 0.000028
HSe+ selenium monohydride cation -2401.836959 -2401.836987 0.000028
C2H5SC2H5 Diethyl sulfide -556.741946 -556.741974 0.000028
PF phosphorus monofluoride -441.179532 -441.179560 0.000028
CHClBr2 Methane, dibromochloro- -5647.401661 -5647.401689 0.000028
HS2 Thiosulfeno radical -796.954882 -796.954909 0.000028
NaF sodium fluoride -262.237689 -262.237661 -0.000028
C+ Carbon atom cation -4.983173 -4.983201 0.000028
C6H12 2,3-dimethyl-but-2-ene -235.947601 -235.947573 -0.000028
NaF sodium fluoride -262.237689 -262.237661 -0.000028
CH2ClCHCHCH3 2-Butene, 1-chloro- -616.902323 -616.902296 -0.000027
SO2 Sulfur dioxide -160.399465 -160.399493 0.000027
CH3CHBrCH3 i-propyl bromide -2690.252860 -2690.252887 0.000027
CuH Copper monohydride -1640.775084 -1640.775056 -0.000027
CuH Copper monohydride -1640.775084 -1640.775056 -0.000027
CuH Copper monohydride -1640.775084 -1640.775056 -0.000027
CuH Copper monohydride -1640.775084 -1640.775056 -0.000027
H2Se+ Hydrogen selenide cation -2400.209092 -2400.209065 -0.000027
HSe+ selenium monohydride cation -2401.777623 -2401.777650 0.000027
Ar2 Argon dimer -1055.118708 -1055.118735 0.000027
Ne2+ Neon dimer cation -257.228350 -257.228377 0.000027
BrONO2 Bromine nitrate -2851.963464 -2851.963492 0.000027
PCl phosphorus chloride -801.464897 -801.464924 0.000027
SF Monosulfur monofluoride -497.974958 -497.974985 0.000027
SF Monosulfur monofluoride -497.974958 -497.974985 0.000027
ZnCH2 Zinc methylene -1818.269670 -1818.269642 -0.000027
Cu- Copper atom anion -1640.127090 -1640.127063 -0.000027
AsH Arsenic monohydride -2234.239648 -2234.239621 -0.000027
CF4 Carbon tetrafluoride -437.669270 -437.669297 0.000027
Ca2 Calcium dimer -1355.158727 -1355.158700 -0.000027
HSe+ selenium monohydride cation -2401.836620 -2401.836647 0.000027
BF4- tetrafluoroboron anion -424.499098 -424.499071 -0.000027
NBr3 Nitrogen Tribromide -7769.760979 -7769.761007 0.000027
NBr3 Nitrogen Tribromide -7769.760979 -7769.761007 0.000027
AsH Arsenic monohydride -2234.290511 -2234.290484 -0.000027
BF3+ boron trifluoride cation -324.010490 -324.010517 0.000027
C2H4- Ethylene anion -78.571911 -78.571884 -0.000027
NaCN Sodium Cyanide -255.151610 -255.151637 0.000027
HOCl hypochlorous acid -535.943574 -535.943547 -0.000027
DOCl Hypochlorous acid-d -535.943574 -535.943547 -0.000027
AsP Arsenic monophosphide -2577.255708 -2577.255681 -0.000027
NaF sodium fluoride -262.226030 -262.226003 -0.000027
HSe+ selenium monohydride cation -2401.836960 -2401.836987 0.000027
HSe+ selenium monohydride cation -2401.836960 -2401.836987 0.000027
AsH+ Arsenic monohydride cation -2233.934920 -2233.934893 -0.000027
PF3 Phosphorus trifluoride -641.145219 -641.145246 0.000027
AsP Arsenic monophosphide -2577.259746 -2577.259719 -0.000027
BF3- Borane, trifluoro- anion -324.670728 -324.670701 -0.000027
HBr- hydrogen bromide anion -2574.832669 -2574.832696 0.000027
Cl2CS Thiophosgene -1356.724730 -1356.724757 0.000027
AlF3 Aluminum trifluoride -539.316527 -539.316500 -0.000027
TiO2 Titanium dioxide -1000.017902 -1000.017876 -0.000027
Cl2- chlorine diatomic anion -920.541431 -920.541458 0.000027
Cl2- chlorine diatomic anion -920.541431 -920.541458 0.000027
AlF3 Aluminum trifluoride -539.316527 -539.316500 -0.000027
F2 Fluorine diatomic -196.663931 -196.663905 -0.000027
F2 Fluorine diatomic -196.663931 -196.663905 -0.000027
B2Cl4 Diboron tetrachloride -1890.747935 -1890.747962 0.000026
C16H10 Pyrene -615.773134 -615.773108 -0.000026
C4H8Cl2 1,4-Dichlorobutane -1077.785604 -1077.785578 -0.000026
MgOH magnesium hydroxide -275.908735 -275.908762 0.000026
MgOH magnesium hydroxide -275.908735 -275.908762 0.000026
NaCN Sodium Cyanide -255.189117 -255.189143 0.000026
NaO sodium monoxide -237.453121 -237.453148 0.000026
GeH+ Germaniun monohyrdide cation -2075.217103 -2075.217077 -0.000026
NaO sodium monoxide -237.432342 -237.432368 0.000026
NaO sodium monoxide -237.432342 -237.432368 0.000026
PF- phosphorus monofluoride anion -441.260675 -441.260648 -0.000026
SCl sulfur monochloride -858.390542 -858.390568 0.000026
SCl sulfur monochloride -858.390542 -858.390568 0.000026
SCl sulfur monochloride -858.390542 -858.390568 0.000026
SCl sulfur monochloride -858.390542 -858.390568 0.000026
NaO sodium monoxide -237.432342 -237.432368 0.000026
AsCl3 Arsenous trichloride -3614.435792 -3614.435766 -0.000026
AsCl3 Arsenous trichloride -3614.435792 -3614.435766 -0.000026
SiF4 Silicon tetrafluoride -689.108562 -689.108536 -0.000026
SiF- silicon monofluoride anion -389.337437 -389.337410 -0.000026
NaCN Sodium Cyanide -255.138698 -255.138724 0.000026
NaCN Sodium Cyanide -255.138698 -255.138724 0.000026
C4H6S Thiophene, 2,5-dihydro- -554.297830 -554.297856 0.000026
ScO Scandium monoxide -835.908607 -835.908581 -0.000026
CH2ClCHCHCH3 2-Butene, 1-chloro- -616.836606 -616.836580 -0.000026
Cl2CS Thiophosgene -1356.657749 -1356.657775 0.000026
ClF- clorine monofluoride anion -560.017531 -560.017557 0.000026
NF2 Difluoroamino radical -254.284673 -254.284699 0.000026
NF2 Difluoroamino radical -254.284673 -254.284699 0.000026
NF2 Difluoroamino radical -254.262472 -254.262498 0.000026
NF2 Difluoroamino radical -254.262472 -254.262498 0.000026
C24H12 Coronene -922.188336 -922.188310 -0.000026
C10H8 Azulene -385.971460 -385.971486 0.000026
SiF- silicon monofluoride anion -389.337436 -389.337410 -0.000026
B2Cl4 Diboron tetrachloride -1890.736296 -1890.736322 0.000026
B2Cl4 Diboron tetrachloride -1890.736296 -1890.736322 0.000026
CH2ClCHCHCH3 2-Butene, 1-chloro- -616.918190 -616.918165 -0.000026
PCl+ phosphorus monochloride cation -801.167080 -801.167106 0.000026
C12H8 biphenylene -462.186077 -462.186051 -0.000026
GeS Germanium monosulfide -2475.297869 -2475.297843 -0.000026
CH3CN- acetonitrile anion -132.634069 -132.634095 0.000026
NaCl Sodium Chloride -619.361155 -619.361181 0.000026
NaCl Sodium Chloride -619.361155 -619.361181 0.000026
MgO+ magnesium oxide cation -274.937044 -274.937069 0.000026
C6H14 Butane, 2,2-dimethyl- -237.175178 -237.175152 -0.000026
CH5N3S Hydrazinecarbothioamide -603.535695 -603.535721 0.000026
NH2Cl chloramine -516.103433 -516.103459 0.000026
SCl sulfur monochloride -858.390550 -858.390576 0.000026
SCl sulfur monochloride -858.390550 -858.390576 0.000026
SCl sulfur monochloride -858.390550 -858.390576 0.000026
Li2O+ dilithium oxide cation -90.080492 -90.080517 0.000026
Li2O+ dilithium oxide cation -90.080492 -90.080517 0.000026
Li2O+ dilithium oxide cation -90.080492 -90.080517 0.000026
Li2O+ dilithium oxide cation -90.080492 -90.080517 0.000026
AlFCl2 Aluminum dichloride fluoride -1263.034209 -1263.034235 0.000026
C4H6(CH3)2 dimethylcyclobutane -235.845322 -235.845296 -0.000026
CF2 Difluoromethylene -237.689754 -237.689779 0.000026
SO2 Sulfur dioxide -541.995601 -541.995626 0.000026
GeH germylidene -2077.577458 -2077.577432 -0.000025
MgF2 Magnesium fluoride -399.890114 -399.890139 0.000025
SF5Cl sulfur chloropentafluoride -1357.789845 -1357.789819 -0.000025
AlFCl2 Aluminum dichloride fluoride -1263.029668 -1263.029693 0.000025
Ar2 Argon dimer -1055.106382 -1055.106407 0.000025
SiF2 Silicon difluoride -489.272166 -489.272191 0.000025
SF Monosulfur monofluoride -497.995131 -497.995156 0.000025
SF Monosulfur monofluoride -497.995131 -497.995156 0.000025
C6H14 Hexane -237.177171 -237.177145 -0.000025
SO2 Sulfur dioxide -548.603349 -548.603374 0.000025
MgF+ magnesium fluoride cation -299.695034 -299.695060 0.000025
C6H12 2,3-dimethyl-but-2-ene -235.856695 -235.856670 -0.000025
PF5 Phosphorus pentafluoride -840.676371 -840.676346 -0.000025
PF phosphorus monofluoride -441.227754 -441.227779 0.000025
C6H5CHCH2 Styrene -309.763254 -309.763229 -0.000025
C+ Carbon atom cation -4.981654 -4.981679 0.000025
C6H12 2,3-dimethyl-but-2-ene -235.945902 -235.945877 -0.000025
MgF+ magnesium fluoride cation -299.695034 -299.695060 0.000025
Cl Chlorine atom -460.174690 -460.174665 -0.000025
LiO- lithium oxide anion -82.733180 -82.733205 0.000025
CH3CCl2CH3 Propane, 2,2-dichloro- -1038.334484 -1038.334460 -0.000025
H3Se+ Hydrogen Selenide, protonated -2403.068187 -2403.068212 0.000025
LiO- lithium oxide anion -82.743207 -82.743182 -0.000025
CaH2 Calcium Hydride -678.748462 -678.748437 -0.000025
ClNO Nitrosyl chloride -590.085233 -590.085208 -0.000025
Ga2 Gallium diatomic -3849.696932 -3849.696907 -0.000025
BF4- tetrafluoroboron anion -424.720489 -424.720514 0.000025
C4H6S Thiophene, 2,5-dihydro- -554.300006 -554.300030 0.000025
CF2 Difluoromethylene -237.711311 -237.711335 0.000025
C(CH3)3 Tert-butyl radical -157.861183 -157.861158 -0.000025
C10H8 Azulene -385.838160 -385.838184 0.000025
C10H8 Azulene -385.850814 -385.850838 0.000025
Ne Neon atom -128.909463 -128.909439 -0.000024
Ne Neon atom -128.909463 -128.909439 -0.000024
SO2 Sulfur dioxide -548.599358 -548.599382 0.000024
C8H16 cyclooctane -314.497234 -314.497210 -0.000024
F2 Fluorine diatomic -199.507533 -199.507509 -0.000024
F2 Fluorine diatomic -199.507533 -199.507509 -0.000024
C6H12O2 Hexanoic acid -386.498323 -386.498299 -0.000024
NF3+ Nitrogen trifluoride cation -353.625955 -353.625979 0.000024
SO2 Sulfur dioxide -548.632356 -548.632380 0.000024
SO4-- sulfate -698.932024 -698.931999 -0.000024
LiOH lithium hydroxide -83.423857 -83.423881 0.000024
C5H10O 2-Pentanone -271.892332 -271.892356 0.000024
NaCl Sodium Chloride -622.600256 -622.600232 -0.000024
NaCl Sodium Chloride -622.600256 -622.600232 -0.000024
BrONO2 Bromine nitrate -2840.455518 -2840.455494 -0.000024
SiF- silicon monofluoride anion -389.399410 -389.399386 -0.000024
CH3Br methyl bromide -2614.161826 -2614.161850 0.000024
C4H6S Thiophene, 2,5-dihydro- -554.204319 -554.204343 0.000024
SiF- silicon monofluoride anion -389.399410 -389.399386 -0.000024
S2 Sulfur diatomic -796.362866 -796.362890 0.000024
S2 Sulfur diatomic -796.362866 -796.362890 0.000024
C4H8S Thiophene, tetrahydro- -555.531152 -555.531127 -0.000024
S3 Sulfur trimer -1194.545765 -1194.545741 -0.000024
C6H4F2 orthodifluorobenzene -430.708689 -430.708665 -0.000024
Se Selenium atom -2401.570465 -2401.570489 0.000024
C2H4CO3 Ethylene carbonate -342.528717 -342.528740 0.000024
GeH germylidene -2067.519408 -2067.519432 0.000024
AsCl3 Arsenous trichloride -3614.458622 -3614.458598 -0.000024
ZnF Zinc monofluoride -1878.933437 -1878.933461 0.000024
C10H8 Azulene -385.916744 -385.916768 0.000024
C2H5SC2H5 Diethyl sulfide -556.642533 -556.642557 0.000024
SO2 Sulfur dioxide -548.587464 -548.587488 0.000024
C5H8 Bicyclo[2.1.0]pentane -195.350821 -195.350797 -0.000024
ClS2 Sulfur chloride -1256.560381 -1256.560357 -0.000024
SiF3 Silicon trifluoride radical -589.136788 -589.136764 -0.000024
SiF3 Silicon trifluoride radical -589.136788 -589.136764 -0.000024
C6H14 Pentane, 2-methyl- -237.174967 -237.174943 -0.000024
SO2 Sulfur dioxide -548.425576 -548.425599 0.000024
ClOO chloroperoxy radical -610.562477 -610.562500 0.000024
ClOO chloroperoxy radical -610.562477 -610.562500 0.000024
KrF2 Krypton difluoride -2953.283027 -2953.283004 -0.000024
S Sulfur atom -398.138716 -398.138693 -0.000024
S Sulfur atom -398.138716 -398.138693 -0.000024
CH2CF2 Ethene, 1,1-difluoro- -277.083394 -277.083418 0.000024
C2H4CO3 Ethylene carbonate -342.534557 -342.534581 0.000024
S2 Sulfur diatomic -796.325974 -796.325998 0.000023
AlF3 Aluminum trifluoride -542.189956 -542.189979 0.000023
AlF3 Aluminum trifluoride -542.189956 -542.189979 0.000023
TiO Titanium monoxide -924.632221 -924.632197 -0.000023
NaF sodium fluoride -262.204847 -262.204871 0.000023
SiF- silicon monofluoride anion -389.379933 -389.379910 -0.000023
C5H8 Bicyclo[2.1.0]pentane -195.352236 -195.352212 -0.000023
ScF3 Scandium trifluoride -1060.634257 -1060.634233 -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
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- -618.159467 -618.159444 -0.000023
C4H9N Pyrrolidine -212.663274 -212.663250 -0.000023
C10H8 naphthalene -385.892730 -385.892707 -0.000023
CH3CHBrCH3 i-propyl bromide -2692.823998 -2692.824021 0.000023
ClS2 Sulfur chloride -1256.557013 -1256.556990 -0.000023
As+ Arsenic cation -2235.451106 -2235.451129 0.000023
SiF3 Silicon trifluoride radical -589.168718 -589.168695 -0.000023
C4H9N Pyrrolidine -212.604682 -212.604659 -0.000023
CH3CF2Cl 1-Chloro-1,1-Difluoroethane -737.899198 -737.899221 0.000023
BF3+ boron trifluoride cation -324.020393 -324.020416 0.000023
SiF- silicon monofluoride anion -389.379933 -389.379910 -0.000023
SeS- selenium monosulfide anion -2797.613671 -2797.613694 0.000023
C6H14 Pentane, 2-methyl- -237.176390 -237.176367 -0.000023
AsN Arsenic mononitride -2290.583990 -2290.583967 -0.000023
TiO Titanium monoxide -924.713518 -924.713495 -0.000023
C4H8O2 1,4-Dioxane -307.775926 -307.775949 0.000023
S3- Sulfur trimer anion -1194.635734 -1194.635711 -0.000023
C10H8 Azulene -385.975181 -385.975204 0.000023
S Sulfur atom -398.138716 -398.138693 -0.000023
S Sulfur atom -398.138716 -398.138693 -0.000023
Se- Selenium atom anion -2401.651347 -2401.651370 0.000023
BF3- Borane, trifluoro- anion -324.488798 -324.488820 0.000023
C10H8 Azulene -385.975181 -385.975204 0.000023
S3- Sulfur trimer anion -1194.760003 -1194.759980 -0.000023
C4H11NO Diethylhydroxylamine -288.962560 -288.962538 -0.000023
C6F6 hexafluorobenzene -827.947060 -827.947038 -0.000023
TiO Titanium monoxide -924.734091 -924.734069 -0.000023
C6H8 Bicyclo[2.1.1]hex-2-ene -233.449194 -233.449171 -0.000023
SCl sulfur monochloride -858.382131 -858.382153 0.000023
SCl sulfur monochloride -858.382131 -858.382153 0.000023
C4H9N Pyrrolidine -212.666588 -212.666565 -0.000023
C6H14 Hexane -237.175804 -237.175781 -0.000023
PCl phosphorus chloride -801.585702 -801.585725 0.000023
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- -1077.651772 -1077.651750 -0.000022
MgF+ magnesium fluoride cation -299.673195 -299.673218 0.000022
MgF+ magnesium fluoride cation -299.673195 -299.673218 0.000022
C6H10 Cyclopentene, 4-methyl- -234.730195 -234.730172 -0.000022
COBr2 Carbonic dibromide -5256.732497 -5256.732519 0.000022
C8H8 cyclooctatetraene -309.700985 -309.701007 0.000022
C2F4 Tetrafluoroethylene -475.536440 -475.536462 0.000022
CH3C(NH2)HCH2CH3 2-Butanamine -213.893144 -213.893166 0.000022
SF2- sulfur difluoride anion -597.871504 -597.871526 0.000022
As+ Arsenic cation -2235.460915 -2235.460893 -0.000022
As+ Arsenic cation -2235.460508 -2235.460486 -0.000022
C2H5SC2H5 Diethyl sulfide -556.661989 -556.662011 0.000022
C10H8 Azulene -385.861882 -385.861904 0.000022
NF2 Difluoroamino radical -254.262475 -254.262498 0.000022
NF2 Difluoroamino radical -254.262475 -254.262498 0.000022
MgF- magnesium fluoride anion -299.998843 -299.998821 -0.000022
C10H8 Azulene -385.962472 -385.962494 0.000022
CaH2 Calcium Hydride -678.749809 -678.749787 -0.000022
SO- sulfur monoxide anion -473.474665 -473.474687 0.000022
CHOCH(CH3)CH3 Propanal, 2-methyl- -232.549427 -232.549405 -0.000022
C4H10OS Diethyl sulfoxide -631.962163 -631.962141 -0.000022
TiO Titanium monoxide -924.732905 -924.732883 -0.000022
C3H4S3 1,3-Dithiolane-2-thione -1311.441264 -1311.441286 0.000022
CaH2 Calcium Hydride -678.744741 -678.744719 -0.000022
C5H10S 3-Ethylthio-1-propene -594.831848 -594.831826 -0.000022
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- -1077.788714 -1077.788692 -0.000022
C12H10 Heptalene -463.372535 -463.372513 -0.000022
CHBrF2 Methane, bromodifluoro- -2812.714013 -2812.714035 0.000022
Ar2 Argon dimer -1055.090717 -1055.090739 0.000022
SiCl2 Dichlorosilylene -1209.950384 -1209.950406 0.000022
C4H9N Pyrrolidine -212.581750 -212.581728 -0.000022
AsN Arsenic mononitride -2290.593857 -2290.593836 -0.000022
SCl sulfur monochloride -858.382131 -858.382153 0.000022
SCl sulfur monochloride -858.382131 -858.382153 0.000022
SCl sulfur monochloride -858.382131 -858.382153 0.000022
SCl sulfur monochloride -858.382131 -858.382153 0.000022
ClO3- chlorate anion -685.840742 -685.840720 -0.000022
CBrCl3 Methane, bromotrichloro- -3993.021023 -3993.021045 0.000022
FO Oxygen monofluoride -174.924099 -174.924120 0.000022
FO Oxygen monofluoride -174.924099 -174.924120 0.000022
CCl3+ Trichloromethyl cation -1418.459753 -1418.459731 -0.000022
SF5Cl sulfur chloropentafluoride -1357.794911 -1357.794889 -0.000022
PCl+ phosphorus monochloride cation -801.245111 -801.245132 0.000022
C4H8O2 1,4-Dioxane -307.781750 -307.781771 0.000021
C2H4O2 1,3-dioxetane -229.098174 -229.098195 0.000021
CH2ClCHClCH3 Propane, 1,2-dichloro- -1038.459352 -1038.459331 -0.000021
C5H12S Propane, 2-methyl-2-(methylthio)- -596.069264 -596.069243 -0.000021
C5H12O 2-Pentanol -272.979624 -272.979603 -0.000021
AsH3 Arsine -2226.933270 -2226.933248 -0.000021
AsH3 Arsine -2226.933270 -2226.933248 -0.000021
LiBr- lithium bromide cation -2579.331003 -2579.331025 0.000021
C12H10 Heptalene -463.239013 -463.238991 -0.000021
SO- sulfur monoxide anion -473.371937 -473.371958 0.000021
F2O Difluorine monoxide -274.768440 -274.768461 0.000021
C4H6S Thiophene, 2,5-dihydro- -554.219686 -554.219707 0.000021
NH2Cl chloramine -516.177159 -516.177180 0.000021
PF phosphorus monofluoride -441.092434 -441.092455 0.000021
C10H8 Azulene -385.879662 -385.879683 0.000021
TiO2 Titanium dioxide -995.044448 -995.044427 -0.000021
C2F4 Tetrafluoroethylene -475.499596 -475.499617 0.000021
CH2ClCHClCH3 Propane, 1,2-dichloro- -1038.350148 -1038.350127 -0.000021
MgO magnesium oxide -275.216197 -275.216218 0.000021
C3H8O2 Methane, dimethoxy- -269.552283 -269.552262 -0.000021
ClOO chloroperoxy radical -610.565936 -610.565957 0.000021
ClOO chloroperoxy radical -610.565936 -610.565957 0.000021
AsP Arsenic monophosphide -2575.101983 -2575.101963 -0.000021
NeH neon hydrogen -129.464201 -129.464181 -0.000021
Kr Krypton atom -2751.078602 -2751.078622 0.000021
Ar Argon atom -527.559371 -527.559350 -0.000021
NaCl Sodium Chloride -622.564464 -622.564443 -0.000021
NaCl Sodium Chloride -622.564464 -622.564443 -0.000021
C3F8 perfluoropropane -913.425919 -913.425939 0.000021
FO Oxygen monofluoride -174.948623 -174.948643 0.000021
Mg(OH)2 Magnesium dihydroxide -351.794947 -351.794968 0.000021
BrONO2 Bromine nitrate -2854.440134 -2854.440155 0.000021
AlF- Aluminum monofluoride anion -342.308827 -342.308806 -0.000021
C6H8 3-Methylenecyclopentene -233.506648 -233.506628 -0.000021
FO Oxygen monofluoride -174.948623 -174.948643 0.000021
P Phosphorus atom -341.280483 -341.280503 0.000020
FO Oxygen monofluoride -174.948623 -174.948643 0.000020
CH2ClCHCHCH3 2-Butene, 1-chloro- -616.882485 -616.882465 -0.000020
C5H8O Furan, 2,3-dihydro-5-methyl- -270.652413 -270.652392 -0.000020
ClOOCl Dichlorine dioxide -1070.768176 -1070.768156 -0.000020
ClO- chlorine monoxide anion -535.454909 -535.454929 0.000020
ClO- chlorine monoxide anion -535.340889 -535.340909 0.000020
GaF Gallium monofluoride -2024.885872 -2024.885851 -0.000020
B2Cl4 Diboron tetrachloride -1881.546998 -1881.547018 0.000020
B2Cl4 Diboron tetrachloride -1881.546998 -1881.547018 0.000020
FO2 Dioxygen monofluoride -250.054798 -250.054818 0.000020
C5H11N Cyclopentanamine -251.999278 -251.999298 0.000020
SCl sulfur monochloride -858.388694 -858.388715 0.000020
SCl sulfur monochloride -858.388694 -858.388715 0.000020
C(CH3)3 Tert-butyl radical -157.859959 -157.859938 -0.000020
BF3 Borane, trifluoro- -324.553220 -324.553240 0.000020
HS2 Thiosulfeno radical -796.999218 -796.999238 0.000020
H3Se+ Hydrogen Selenide, protonated -2400.867730 -2400.867751 0.000020
AsH3+ Arsine cation -2235.176022 -2235.176002 -0.000020
HCONH2CN2H4 formamide aminomethanimine dimer -320.059653 -320.059633 -0.000020
SO4-- sulfate -699.187307 -699.187327 0.000020
SiF3 Silicon trifluoride radical -589.291645 -589.291625 -0.000020
SF2- sulfur difluoride anion -597.982723 -597.982743 0.000020
F2SO Thionyl Fluoride -673.044121 -673.044101 -0.000020
COHBr COHBr -2688.199847 -2688.199867 0.000020
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- -3246.790270 -3246.790290 0.000020
SF2- sulfur difluoride anion -597.840890 -597.840910 0.000020
F2O Difluorine monoxide -274.775802 -274.775822 0.000020
NBr3 Nitrogen Tribromide -7777.357165 -7777.357145 -0.000020
CH2ClCHCHCH3 2-Butene, 1-chloro- -616.845620 -616.845600 -0.000020
CH2ClCHClCH3 Propane, 1,2-dichloro- -1038.336373 -1038.336353 -0.000020
SeO3 selenium trioxide -2627.063458 -2627.063478 0.000020
NaCN Sodium Cyanide -255.152483 -255.152503 0.000020
OClO- Chlorine dioxide anion -610.630871 -610.630891 0.000020
TiO Titanium monoxide -924.709184 -924.709164 -0.000020
Cl2 Chlorine diatomic -920.444351 -920.444331 -0.000020
PBr3 Phosphorus tribromide -8056.540480 -8056.540500 0.000020
AlF- Aluminum monofluoride anion -342.408642 -342.408622 -0.000020
SeO3 selenium trioxide -2627.104412 -2627.104432 0.000020
ClF3 Chlorine trifluoride -755.592688 -755.592668 -0.000020
CH2ClCHClCH3 Propane, 1,2-dichloro- -1038.456876 -1038.456856 -0.000020
F2 Fluorine diatomic -198.439846 -198.439866 0.000020
F2 Fluorine diatomic -198.439846 -198.439866 0.000020
F2 Fluorine diatomic -198.439846 -198.439866 0.000020
F2 Fluorine diatomic -198.439846 -198.439866 0.000020
C4H8O2 1,4-Dioxane -307.658240 -307.658260 0.000020
HS2 Thiosulfeno radical -797.036939 -797.036958 0.000020
Cl2- chlorine diatomic anion -920.533246 -920.533265 0.000020
Cl2- chlorine diatomic anion -920.533246 -920.533265 0.000020
DOCl Hypochlorous acid-d -535.957739 -535.957758 0.000020
AlFCl2 Aluminum dichloride fluoride -1262.893741 -1262.893761 0.000020
N2O4 Dinitrogen tetroxide -410.168259 -410.168239 -0.000020
F3PO Phosphoryl fluoride -716.431281 -716.431301 0.000020
CH3C(NH2)HCH2CH3 2-Butanamine -213.800138 -213.800158 0.000020
FO Oxygen monofluoride -174.944221 -174.944241 0.000020
Se Selenium atom -2401.570112 -2401.570132 0.000020
O3- Ozone anion -225.470686 -225.470706 0.000020
CaCO3 Calcium Carbonate -936.547842 -936.547862 0.000020
C5H5NO 4(1H)-Pryidinone -323.631538 -323.631518 -0.000020
GeH+ Germaniun monohyrdide cation -2067.240225 -2067.240245 0.000020
HS2 Thiosulfeno radical -797.006436 -797.006456 0.000020
NaCN Sodium Cyanide -255.165175 -255.165195 0.000020
FO Oxygen monofluoride -174.944222 -174.944241 0.000020
FO Oxygen monofluoride -174.944222 -174.944241 0.000020
SiF3 Silicon trifluoride radical -589.253299 -589.253279 -0.000020
C10H8 Azulene -385.865783 -385.865764 -0.000020
VO Vanadium monoxide -1019.149325 -1019.149306 -0.000020
HOCl hypochlorous acid -535.957739 -535.957758 0.000019
BF3 Borane, trifluoro- -324.574637 -324.574657 0.000019
BF3 Borane, trifluoro- -324.574637 -324.574657 0.000019
LiCN lithium cyanide -99.822636 -99.822656 0.000019
Cl2 Chlorine diatomic -920.444350 -920.444331 -0.000019
COBr2 Carbonic dibromide -5261.830399 -5261.830418 0.000019
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- -3246.794461 -3246.794481 0.000019
SCl sulfur monochloride -858.388695 -858.388715 0.000019
SCl sulfur monochloride -858.388695 -858.388715 0.000019
SCl sulfur monochloride -858.388695 -858.388715 0.000019
SCl sulfur monochloride -858.388695 -858.388715 0.000019
CHBrCl2 Methane, bromodichloro- -3530.787781 -3530.787801 0.000019
Ca Calcium atom -677.575996 -677.575977 -0.000019
Ca Calcium atom -677.575996 -677.575977 -0.000019
Ca Calcium atom -677.575996 -677.575977 -0.000019
Ca Calcium atom -677.575996 -677.575977 -0.000019
BF3 Borane, trifluoro- -324.569517 -324.569536 0.000019
Cl2 Chlorine diatomic -920.405676 -920.405656 -0.000019
Cl2 Chlorine diatomic -920.405676 -920.405656 -0.000019
Cl2 Chlorine diatomic -920.405676 -920.405656 -0.000019
CCl3CHO trichloroacetaldehyde -1532.764980 -1532.764961 -0.000019
SO2 Sulfur dioxide -548.655964 -548.655984 0.000019
F3PO Phosphoryl fluoride -716.422919 -716.422938 0.000019
SO2 Sulfur dioxide -548.655964 -548.655984 0.000019
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- -3246.700591 -3246.700610 0.000019
CH2CCl2 Ethene, 1,1-dichloro- -997.784402 -997.784421 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 -677.576047 -677.576027 -0.000019
SiCl Clorosilylidyne -749.730342 -749.730361 0.000019
OClO+ Chlorine dioxide cation -610.020044 -610.020063 0.000019
ScO Scandium monoxide -835.897950 -835.897930 -0.000019
ScO Scandium monoxide -835.897950 -835.897930 -0.000019
Cl2- chlorine diatomic anion -920.513698 -920.513717 0.000019
Cl2- chlorine diatomic anion -920.513698 -920.513717 0.000019
NBr3 Nitrogen Tribromide -7777.359885 -7777.359866 -0.000019
C4H8 methylcyclopropane -156.350815 -156.350796 -0.000019
Cl2 Chlorine diatomic -920.405676 -920.405656 -0.000019
BrNO Nitrosyl bromide -2704.181349 -2704.181329 -0.000019
C6H14 Pentane, 2-methyl- -237.084759 -237.084740 -0.000019
O2 Oxygen diatomic -149.482010 -149.481991 -0.000019
O2 Oxygen diatomic -149.482010 -149.481991 -0.000019
O2 Oxygen diatomic -149.482010 -149.481991 -0.000019
O2 Oxygen diatomic -149.482010 -149.481991 -0.000019
FO Oxygen monofluoride -174.883643 -174.883662 0.000019
FO Oxygen monofluoride -174.883643 -174.883662 0.000019
C2Cl4 Tetrachloroethylene -1916.955804 -1916.955823 0.000019
H2Br+ protonated hydrogen bromide -2575.065491 -2575.065510 0.000019
SiCl4 Silane, tetrachloro- -2130.667991 -2130.668010 0.000019
H2Br+ protonated hydrogen bromide -2575.064913 -2575.064932 0.000019
H2SeO4 Selenic acid -2703.759052 -2703.759071 0.000019
HCONH2CN2H4 formamide aminomethanimine dimer -319.915450 -319.915431 -0.000019
NaCl Sodium Chloride -622.560317 -622.560298 -0.000019
NaCl Sodium Chloride -622.560317 -622.560298 -0.000019
NaCl Sodium Chloride -622.560317 -622.560298 -0.000019
NaCl Sodium Chloride -622.560317 -622.560298 -0.000019
C6H12N2 Triethylenediamine -60.886596 -60.886577 -0.000019
HS2 Thiosulfeno radical -797.045688 -797.045707 0.000019
C4H8 methylcyclopropane -157.274176 -157.274157 -0.000019
N+ Nitrogen atom cation -9.219548 -9.219529 -0.000019
CHCl2CHO dichloroacetaldehyde -1073.006530 -1073.006511 -0.000019
N+ Nitrogen atom cation -9.217652 -9.217633 -0.000019
FO Oxygen monofluoride -174.903124 -174.903143 0.000019
CH3CBr3 1,1,1-tribromoethane -7800.724727 -7800.724746 0.000019
C6H12 Cyclohexane -235.880436 -235.880455 0.000019
ClF3 Chlorine trifluoride -759.566943 -759.566924 -0.000019
FO Oxygen monofluoride -174.903125 -174.903143 0.000019
HS2 Thiosulfeno radical -797.035448 -797.035467 0.000019
PF3 Phosphorus trifluoride -640.956458 -640.956440 -0.000019
C5H10S Thiophene, tetrahydro-3-methyl- -594.858774 -594.858793 0.000019
GaF Gallium monofluoride -2024.881700 -2024.881681 -0.000019
SO2Cl2 Sulfuryl chloride -1468.941981 -1468.941999 0.000019
CHOCH(CH3)CH3 Propanal, 2-methyl- -232.458088 -232.458069 -0.000019
CH2CCl2 Ethene, 1,1-dichloro- -997.775291 -997.775310 0.000019
C4H9N Cyclobutylamine -212.642151 -212.642132 -0.000019
Cl2 Chlorine diatomic -920.444753 -920.444735 -0.000019
C6H14 Hexane -237.085499 -237.085480 -0.000019
KO Potassium monoxide -675.103243 -675.103224 -0.000019
HOBr Hypobromous acid -2649.925031 -2649.925013 -0.000019
HOBr Hypobromous acid -2649.925031 -2649.925013 -0.000019
TiO Titanium monoxide -924.614503 -924.614484 -0.000019
TiO Titanium monoxide -924.614503 -924.614484 -0.000019
CSe2 Carbon diselenide -4841.272702 -4841.272683 -0.000019
CH3CCCH3 2-Butyne -155.978958 -155.978977 0.000019
MgF2 Magnesium fluoride -400.002884 -400.002866 -0.000019
CH3COCl Acetyl Chloride -613.445898 -613.445917 0.000019
SiF silicon monofluoride -389.384902 -389.384921 0.000019
MgO+ magnesium oxide cation -274.989900 -274.989918 0.000019
CS2- Carbon disulfide anion -834.494890 -834.494871 -0.000019
SiF silicon monofluoride -389.384902 -389.384921 0.000019
BrONO2 Bromine nitrate -2854.408677 -2854.408696 0.000019
CH3CBr3 1,1,1-tribromoethane -7800.726682 -7800.726701 0.000019
BF3 Borane, trifluoro- -322.802473 -322.802455 -0.000019
BF3 Borane, trifluoro- -322.802473 -322.802455 -0.000019
SO2Cl2 Sulfuryl chloride -1468.954407 -1468.954426 0.000019
C5H12S Ethyl propyl sulfide -596.069938 -596.069957 0.000019
C5H12 Pentane -197.771782 -197.771763 -0.000019
H3Se+ Hydrogen Selenide, protonated -2400.876190 -2400.876209 0.000018
C3H3N3O3 cyanuric acid -506.215106 -506.215125 0.000018
AlF3 Aluminum trifluoride -539.195106 -539.195087 -0.000018
Na2 Sodium diatomic -322.582500 -322.582482 -0.000018
AlF3 Aluminum trifluoride -539.195106 -539.195087 -0.000018
C4H10OS Diethyl sulfoxide -631.957098 -631.957080 -0.000018
NaO sodium monoxide -237.487662 -237.487643 -0.000018
MgO- magnesium oxide anion -275.278151 -275.278170 0.000018
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- -3246.503237 -3246.503255 0.000018
C(NH2)H2CH2CH2CH3 1-Butanamine -213.798213 -213.798195 -0.000018
HBr+ hydrogen bromide cation -2574.403646 -2574.403664 0.000018
MgCl- magnesium monochloride anion -660.382966 -660.382948 -0.000018
C4H8 methylcyclopropane -157.268859 -157.268841 -0.000018
ClO3- chlorate anion -685.641220 -685.641238 0.000018
CF2Cl2 difluorodichloromethane -1158.180452 -1158.180470 0.000018
COFCl Carbonic chloride fluoride -673.360435 -673.360453 0.000018
N+ Nitrogen atom cation -9.214551 -9.214533 -0.000018
FO Oxygen monofluoride -174.869561 -174.869580 0.000018
FO Oxygen monofluoride -174.869561 -174.869580 0.000018
FO Oxygen monofluoride -174.869561 -174.869580 0.000018
FO Oxygen monofluoride -174.869561 -174.869580 0.000018
FO Oxygen monofluoride -174.869561 -174.869580 0.000018
FO Oxygen monofluoride -174.869561 -174.869580 0.000018
C6H10 2,4-Hexadiene, (E,E)- -234.724472 -234.724454 -0.000018
CSe2 Carbon diselenide -4841.368269 -4841.368288 0.000018
CHClCHCl Ethene, 1,2-dichloro-, (E)- -997.786908 -997.786926 0.000018
CF4 Carbon tetrafluoride -437.476291 -437.476273 -0.000018
CS2- Carbon disulfide anion -834.557878 -834.557860 -0.000018
Cl2 Chlorine diatomic -920.444753 -920.444735 -0.000018
C4H8 methylcyclopropane -157.273132 -157.273114 -0.000018
ClF3 Chlorine trifluoride -759.482427 -759.482408 -0.000018
C5H10 Cyclopropane, 1,1-dimethyl- -196.604810 -196.604792 -0.000018
BF3 Borane, trifluoro- -324.553222 -324.553240 0.000018
CH3CCl3 Ethane, 1,1,1-trichloro- -1458.599021 -1458.599003 -0.000018
C6H5Br bromobenzene -2805.961499 -2805.961518 0.000018
PF- phosphorus monofluoride anion -441.146443 -441.146425 -0.000018
H2SeO4 Selenic acid -2703.749788 -2703.749806 0.000018
C6H10 1,3-Hexadiene, (E)- -234.718192 -234.718174 -0.000018
NC4H12+ tetramethyl ammonium cation -214.163698 -214.163680 -0.000018
C4H10O2 1,4-Butanediol -309.010929 -309.010947 0.000018
AsH3 Arsine -2235.549042 -2235.549024 -0.000018
AsH3 Arsine -2235.549042 -2235.549024 -0.000018
C3H6O Oxetane -193.176837 -193.176855 0.000018
C3H6O Oxetane -193.176837 -193.176855 0.000018
CH2CF2 Ethene, 1,1-difluoro- -277.058678 -277.058696 0.000018
C6H10 Cyclopentene, 1-methyl- -234.735551 -234.735569 0.000018
OBrO OBrO -2721.938105 -2721.938087 -0.000018
C6H12N2 Triethylenediamine -345.452622 -345.452640 0.000018
CSe2 Carbon diselenide -4841.368923 -4841.368941 0.000018
N+ Nitrogen atom cation -9.211777 -9.211759 -0.000018
CCl2- dichloromethylene anion -958.438300 -958.438318 0.000018
C5H10O 2-Butanone, 3-methyl- -271.889881 -271.889899 0.000018
ClONO chlorine nitrite -665.324207 -665.324225 0.000018
MgCO3 Magnesium Carbonate -463.947040 -463.947058 0.000018
C3H3N3O3 cyanuric acid -506.171382 -506.171400 0.000018
C5H10 Cyclopropane, 1,1-dimethyl- -196.603426 -196.603408 -0.000018
N2O4 Dinitrogen tetroxide -410.188377 -410.188359 -0.000018
Ar Argon atom -527.517142 -527.517124 -0.000018
C5H10S 3-Ethylthio-1-propene -594.716149 -594.716131 -0.000018
NaO sodium monoxide -237.491364 -237.491346 -0.000018
NaO sodium monoxide -237.491364 -237.491346 -0.000018
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- -618.059615 -618.059598 -0.000018
B Boron atom -2.605408 -2.605425 0.000018
Ar Argon atom -527.517142 -527.517124 -0.000018
MgF2 Magnesium fluoride -400.011184 -400.011166 -0.000018
SO2 Sulfur dioxide -548.715953 -548.715971 0.000018
SO2 Sulfur dioxide -548.715953 -548.715971 0.000018
SO3 Sulfur trioxide -623.759192 -623.759210 0.000018
SO2 Sulfur dioxide -41.898894 -41.898912 0.000018
C12H10N2 azobenzene -572.799266 -572.799248 -0.000018
C4H8S Thiophene, tetrahydro- -555.529275 -555.529258 -0.000018
SF2 sulfur difluoride -597.942624 -597.942607 -0.000018
C5H10O 2-Butanone, 3-methyl- -271.781283 -271.781300 0.000018
CHClCHCl Ethene, 1,2-dichloro-, (E)- -997.778379 -997.778396 0.000018
PCl phosphorus chloride -801.541644 -801.541662 0.000018
NaF- sodium fluoride anion -262.173225 -262.173243 0.000018
C5H7N (E)-2-Pentenenitrile -249.563230 -249.563213 -0.000017
NF nitrogen fluoride -154.435907 -154.435924 0.000017
NF nitrogen fluoride -154.435907 -154.435924 0.000017
CHF2Cl difluorochloromethane -698.572028 -698.572045 0.000017
CH3SOCH3 Dimethyl sulfoxide -553.306018 -553.306036 0.000017
ClF3 Chlorine trifluoride -759.540637 -759.540620 -0.000017
C5H12S Ethyl propyl sulfide -595.956277 -595.956295 0.000017
CH5N3S Hydrazinecarbothioamide -603.668417 -603.668434 0.000017
NaO- sodium oxide anion -237.493414 -237.493397 -0.000017
CS2- Carbon disulfide anion -834.533245 -834.533228 -0.000017
CF2Cl2 difluorodichloromethane -1158.159242 -1158.159260 0.000017
AsCl3 Arsenous trichloride -3616.628515 -3616.628497 -0.000017
LiF lithium fluoride -107.417614 -107.417631 0.000017
LiF lithium fluoride -107.417614 -107.417631 0.000017
BF3 Borane, trifluoro- -324.596112 -324.596129 0.000017
SO2 Sulfur dioxide -41.907120 -41.907137 0.000017
ScO Scandium monoxide -831.840216 -831.840199 -0.000017
CH3SCH3 Dimethyl sulfide -478.083223 -478.083241 0.000017
C6H12 Cyclohexane -235.965446 -235.965463 0.000017
AsH3 Arsine -2235.561493 -2235.561476 -0.000017
AsH3 Arsine -2235.561493 -2235.561476 -0.000017
SF3 Sulfur trifluoride -697.789499 -697.789482 -0.000017
C4H8 methylcyclopropane -157.244909 -157.244891 -0.000017
Al Aluminum atom -242.389770 -242.389787 0.000017
CHF2Cl difluorochloromethane -698.596425 -698.596442 0.000017
CH3SCH3 Dimethyl sulfide -478.084635 -478.084652 0.000017
LiO lithium oxide -82.714710 -82.714727 0.000017
C4H6OS Dihydro-2-(3H)-thiophenone -629.460878 -629.460861 -0.000017
FO Oxygen monofluoride -174.883103 -174.883120 0.000017
FO Oxygen monofluoride -174.883103 -174.883120 0.000017
MgCl2 Magnesium dichloride -1120.733684 -1120.733701 0.000017
NaCN Sodium Cyanide -255.188359 -255.188376 0.000017
NaCN Sodium Cyanide -255.145628 -255.145646 0.000017
NaCN Sodium Cyanide -255.145628 -255.145646 0.000017
Ar Argon atom -527.515778 -527.515761 -0.000017
Cl2O Dichlorine monoxide -995.591983 -995.591966 -0.000017
F2 Fluorine diatomic -199.544982 -199.544965 -0.000017
F2 Fluorine diatomic -199.544982 -199.544965 -0.000017
NH2CSNH2 Thiourea -548.215629 -548.215646 0.000017
GeH germylidene -2077.539815 -2077.539832 0.000017
SiF- silicon monofluoride anion -389.419409 -389.419392 -0.000017
C2Cl4 Tetrachloroethylene -1916.949404 -1916.949421 0.000017
FNO Nitrosyl fluoride -229.702511 -229.702528 0.000017
Ar Argon atom -527.553208 -527.553191 -0.000017
Ar Argon atom -527.553208 -527.553191 -0.000017
NF3- Nitrogen trifluoride anion -354.061683 -354.061666 -0.000017
MgF+ magnesium fluoride cation -299.679024 -299.679041 0.000017
C4F4 tetrafluorcyclobutadiene -551.547351 -551.547334 -0.000017
Mg(OH)2 Magnesium dihydroxide -351.913545 -351.913562 0.000017
SiF- silicon monofluoride anion -389.419409 -389.419392 -0.000017
ClF3 Chlorine trifluoride -759.484654 -759.484637 -0.000017
CH2Br2 dibromomethane -5187.780362 -5187.780379 0.000017
C5H12S Propane, 2-(ethylthio)- -596.069156 -596.069139 -0.000017
S2 Sulfur diatomic -796.439318 -796.439334 0.000017
AlFCl2 Aluminum dichloride fluoride -1262.880797 -1262.880780 -0.000017
BF3 Borane, trifluoro- -324.472073 -324.472090 0.000017
S2 Sulfur diatomic -796.439318 -796.439334 0.000017
F2 Fluorine diatomic -199.544567 -199.544550 -0.000017
F2 Fluorine diatomic -199.544567 -199.544550 -0.000017
C3H6O Oxetane -193.131152 -193.131169 0.000017
B Boron atom -2.607013 -2.607030 0.000017
C5H12S 2-Butanethiol, 2-methyl- -595.954027 -595.954043 0.000017
C5H8 Bicyclo[2.1.0]pentane -195.280246 -195.280229 -0.000017
SCl2 Sulfur dichloride -1318.680881 -1318.680898 0.000017
SCl2 Sulfur dichloride -1318.680881 -1318.680898 0.000017
C3H6O Oxetane -193.183324 -193.183341 0.000017
C3H6O Oxetane -193.183324 -193.183341 0.000017
C6H5CHO benzaldehyde -345.702984 -345.702967 -0.000017
C4H10O Ethoxy ethane -233.759774 -233.759757 -0.000017
C2H4- Ethylene anion -78.540560 -78.540577 0.000017
NaCN Sodium Cyanide -255.172656 -255.172673 0.000017
SF2+ sulfur difluoride cation -597.434006 -597.433990 -0.000017
C3H6O Oxetane -193.131152 -193.131169 0.000017
SiF- silicon monofluoride anion -389.315260 -389.315244 -0.000017
SiF- silicon monofluoride anion -389.315260 -389.315244 -0.000017
SiF- silicon monofluoride anion -389.315260 -389.315244 -0.000017
SiF- silicon monofluoride anion -389.315260 -389.315244 -0.000017
C6H10 Cyclopentene, 4-methyl- -234.642063 -234.642046 -0.000017
MgF+ magnesium fluoride cation -299.679024 -299.679041 0.000017
NaCl Sodium Chloride -622.617487 -622.617471 -0.000017
CF3COF trifluoroacetyl fluoride -551.022435 -551.022418 -0.000017
CH2Br2 dibromomethane -5187.781651 -5187.781668 0.000017
CaCO3 Calcium Carbonate -936.547759 -936.547776 0.000017
BF3 Borane, trifluoro- -324.577247 -324.577263 0.000017
C5H8 1-pentyne -195.361114 -195.361097 -0.000017
C4H10OS Diethyl sulfoxide -631.816375 -631.816359 -0.000017
Cl2O Dichlorine monoxide -995.595734 -995.595717 -0.000017
GeO Germanium monoxide -2150.202063 -2150.202047 -0.000017
CH2ClCHCHCH3 2-Butene, 1-chloro- -616.819196 -616.819179 -0.000016
CH2ClCHCHCH3 2-Butene, 1-chloro- -616.829335 -616.829318 -0.000016
C5H10S 2H-Thiopyran, tetrahydro- -594.752989 -594.753006 0.000016
C4H6O2 Crotonic Acid -306.613731 -306.613714 -0.000016
C4H8 methylcyclopropane -157.223733 -157.223716 -0.000016
C4H8 methylcyclopropane -157.212032 -157.212016 -0.000016
C3H3N3O3 cyanuric acid -506.127071 -506.127087 0.000016
CH3CHClCH3 Propane, 2-chloro- -578.743621 -578.743604 -0.000016
C6H10 1,3-Hexadiene, (Z)- -234.711175 -234.711158 -0.000016
C12H10N2 azobenzene -572.762019 -572.762003 -0.000016
CHOCH2CH2CH3 Butanal -232.552993 -232.552976 -0.000016
C4H10O Ethoxy ethane -233.756626 -233.756609 -0.000016
C3H3N3O3 cyanuric acid -506.162517 -506.162533 0.000016
C4H8O2 1,4-Dioxane -307.682318 -307.682334 0.000016
NO3- nitrate anion -280.380771 -280.380755 -0.000016
C4H8 methylcyclopropane -157.227493 -157.227476 -0.000016
C3H8O2 Methane, dimethoxy- -269.666324 -269.666307 -0.000016
C6H12N2 Triethylenediamine -60.779434 -60.779417 -0.000016
AsCl3 Arsenous trichloride -3616.642319 -3616.642303 -0.000016
C6H5CN phenyl cyanide -324.610166 -324.610150 -0.000016
BF3 Borane, trifluoro- -324.579555 -324.579571 0.000016
SF2 sulfur difluoride -597.934686 -597.934670 -0.000016
C3H6O Oxetane -193.122395 -193.122412 0.000016
SCl2 Sulfur dichloride -1318.683081 -1318.683097 0.000016
C3H6O Oxetane -193.122395 -193.122412 0.000016
C3H3N3O3 cyanuric acid -506.137253 -506.137269 0.000016
SCl2 Sulfur dichloride -1318.683081 -1318.683097 0.000016
CH2CHOCHCH2 Vinyl ether -231.229021 -231.229005 -0.000016
NO3- nitrate anion -280.418037 -280.418021 -0.000016
As+ Arsenic cation -2233.317048 -2233.317032 -0.000016
As+ Arsenic cation -2233.317048 -2233.317032 -0.000016
CF3+ Trifluoromethyl cation -337.226278 -337.226294 0.000016
CF3+ Trifluoromethyl cation -337.226278 -337.226294 0.000016
As+ Arsenic cation -2233.331237 -2233.331220 -0.000016
H2Br+ protonated hydrogen bromide -2572.532078 -2572.532095 0.000016
MgCO3 Magnesium Carbonate -463.915667 -463.915683 0.000016
MgF Magnesium monofluoride -300.028258 -300.028242 -0.000016
C3H6O Oxetane -193.179775 -193.179791 0.000016
C3H6O Oxetane -193.179775 -193.179791 0.000016
C2H2O4 Oxalic Acid -378.319471 -378.319487 0.000016
AsN Arsenic mononitride -2288.444551 -2288.444535 -0.000016
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- -3246.651048 -3246.651064 0.000016
C2H4CO3 Ethylene carbonate -342.446740 -342.446756 0.000016
NaCl Sodium Chloride -622.596444 -622.596428 -0.000016
C(NH2)H2CH2CH2CH3 1-Butanamine -213.890607 -213.890591 -0.000016
MgO magnesium oxide -275.274925 -275.274909 -0.000016
BrO- Bromine monoxide anion -2646.863022 -2646.863038 0.000016
H2Br+ protonated hydrogen bromide -2572.548718 -2572.548734 0.000016
Al Aluminum atom -242.389497 -242.389513 0.000016
C2H2O4 Oxalic Acid -378.319471 -378.319487 0.000016
C2H2O4 Oxalic Acid -378.319471 -378.319487 0.000016
SCl- sulfur monochloride anion -858.421770 -858.421754 -0.000016
C4H8 methylcyclopropane -157.215471 -157.215455 -0.000016
VO Vanadium monoxide -1019.121014 -1019.120998 -0.000016
VO Vanadium monoxide -1019.121014 -1019.120998 -0.000016
NaCl Sodium Chloride -622.619112 -622.619096 -0.000016
C3H5ClO2 Carbonochloridic acid, ethyl ester -727.977305 -727.977289 -0.000016
C2H2O4 Oxalic Acid -378.319471 -378.319487 0.000016
Si Silicon atom -289.396757 -289.396773 0.000016
NaCl Sodium Chloride -622.619112 -622.619096 -0.000016
C3H8O2S (Methylsulphonyl)ethane -667.741761 -667.741746 -0.000016
ClO+ chlorine monoxide cation -534.893975 -534.893991 0.000016
C4H8 methylcyclopropane -157.229457 -157.229441 -0.000016
AlF3 Aluminum trifluoride -534.769419 -534.769434 0.000016
AlF3 Aluminum trifluoride -534.769419 -534.769434 0.000016
CH3COF Acetyl fluoride -253.092204 -253.092219 0.000016
Zn Zinc atom -1779.353534 -1779.353518 -0.000016
Zn Zinc atom -1779.353534 -1779.353518 -0.000016
HO2- Hydroperoxy anion -151.010302 -151.010318 0.000016
S2 Sulfur diatomic -796.403437 -796.403452 0.000016
C5H12 Butane, 2-methyl- -197.848442 -197.848458 0.000016
C5H12 Pentane -197.849124 -197.849108 -0.000016
C6H8 (Z)-hexa-1,3,5-triene -233.487228 -233.487243 0.000016
SO3- Sulfur trioxide anion -623.831895 -623.831910 0.000016
C5H10 Cyclopropane, 1,1-dimethyl- -196.528817 -196.528801 -0.000016
NF nitrogen fluoride -154.362056 -154.362072 0.000016
C6H10 Cyclopentene, 1-methyl- -234.648126 -234.648142 0.000016
C6H8 Bicyclo[3.1.0]hex-2-ene -233.484252 -233.484236 -0.000016
AlF2Cl Aluminum chloride difluoride -902.681291 -902.681307 0.000016
Si Silicon atom -289.396787 -289.396803 0.000016
CH3NHNHCH3 dimethyl hydrazine -190.561483 -190.561499 0.000016
SCl2 Sulfur dichloride -1318.558680 -1318.558696 0.000016
SCl2 Sulfur dichloride -1318.558680 -1318.558696 0.000016
AlF3 Aluminum trifluoride -542.342135 -542.342151 0.000016
CF3Br Bromotrifluoromethane -2911.998444 -2911.998460 0.000016
Cl3- trichloride anion -1380.793885 -1380.793900 0.000016
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.127969 -999.127953 -0.000016
PF5 Phosphorus pentafluoride -840.957257 -840.957272 0.000015
MgCl+ magnesium monochloride cation -660.098874 -660.098890 0.000015
C3H7OC3H7 di-n-propyl ether -312.415226 -312.415210 -0.000015
SiF3+ Silicon trifluoride cation -585.616958 -585.616943 -0.000015
C3H4S3 1,3-Dithiolane-2-thione -1311.291417 -1311.291432 0.000015
C4H4N2 Pyrazine -264.317235 -264.317220 -0.000015
C6H10O cyclohexanone -310.005434 -310.005449 0.000015
C5H10 Cyclopropane, 1,1-dimethyl- -196.549643 -196.549627 -0.000015
Al Aluminum atom -242.389497 -242.389513 0.000015
CHF2 difluoromethyl radical -238.305468 -238.305484 0.000015
C12H10 Heptalene -463.210986 -463.210970 -0.000015
SiCl3CH3 methyltrichlorosilane -1710.240682 -1710.240697 0.000015
PBr3 Phosphorus tribromide -8064.147506 -8064.147491 -0.000015
C5H12 Pentane -197.848007 -197.847992 -0.000015
S2+ sulfur dimer cation -796.007361 -796.007376 0.000015
BrO- Bromine monoxide anion -2649.443155 -2649.443171 0.000015
CF3+ Trifluoromethyl cation -337.247891 -337.247906 0.000015
Ca2 Calcium dimer -1355.075257 -1355.075272 0.000015
ONONO Nitrosyl nitrite -334.971960 -334.971945 -0.000015
C6H5CHCH2 Styrene -309.648272 -309.648256 -0.000015
ClONO chlorine nitrite -665.302790 -665.302775 -0.000015
C6H10O cyclohexanone -310.009228 -310.009244 0.000015
C6H8 3-Methylenecyclopentene -233.418239 -233.418224 -0.000015
SF5Cl sulfur chloropentafluoride -1357.778933 -1357.778918 -0.000015
NaCl- sodium chloride anion -622.651450 -622.651435 -0.000015
CaH Calcium monohydride -678.151360 -678.151345 -0.000015
H2Br+ protonated hydrogen bromide -2572.540794 -2572.540809 0.000015
AlF3 Aluminum trifluoride -542.342136 -542.342151 0.000015
CBr2F2 Methane, dibromodifluoro- -5386.329782 -5386.329797 0.000015
C5H6N+ Pyridinium -248.681733 -248.681718 -0.000015
NaS Sodium sulfide -557.523452 -557.523467 0.000015
CH2F2 Methane, difluoro- -239.001930 -239.001945 0.000015
C(CH3)3NH2 2-Propanamine, 2-methyl- -213.895462 -213.895477 0.000015
C5H10S 2H-Thiopyran, tetrahydro- -594.772454 -594.772469 0.000015
S Sulfur atom -396.251481 -396.251466 -0.000015
S Sulfur atom -396.251481 -396.251466 -0.000015
Ar Argon atom -527.563662 -527.563677 0.000015
IBr Iodine monobromide -9452.357261 -9452.357246 -0.000015
N(CH3)3 Trimethylamine -174.542137 -174.542122 -0.000015
C5H12 Butane, 2-methyl- -197.771116 -197.771131 0.000015
Ar2 Argon dimer -1055.119953 -1055.119938 -0.000015
C5H12O 3-Pentanol -273.098188 -273.098173 -0.000015
C6H8 (Z)-hexa-1,3,5-triene -233.395507 -233.395521 0.000015
C5H8 1,3-Butadiene, 2-methyl- -195.389365 -195.389350 -0.000015
SCl2 Sulfur dichloride -1318.554958 -1318.554973 0.000015
SCl2 Sulfur dichloride -1318.554958 -1318.554973 0.000015
SCl2 Sulfur dichloride -1318.554958 -1318.554973 0.000015
SCl2 Sulfur dichloride -1318.554958 -1318.554973 0.000015
PBr3 Phosphorus tribromide -8064.145762 -8064.145747 -0.000015
C5H10S 2H-Thiopyran, tetrahydro- -594.859224 -594.859239 0.000015
C6H8 Bicyclo[2.2.0]hex-1(4)-ene -233.399132 -233.399146 0.000015
C4F4 tetrafluorcyclobutadiene -551.591459 -551.591444 -0.000015
SiCl3CH3 methyltrichlorosilane -1710.255123 -1710.255138 0.000015
C5H12O 1-Pentanol -273.094042 -273.094027 -0.000015
GeS Germanium monosulfide -2463.266657 -2463.266672 0.000015
CH2BrCH2Br Ethane, 1,2-dibromo- -5222.037782 -5222.037797 0.000015
C4H4N2 Pyrazine -264.334288 -264.334274 -0.000015
LiO lithium oxide -82.703110 -82.703125 0.000015
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.679112 -638.679127 0.000015
C5H8 Bicyclo[2.1.0]pentane -195.298219 -195.298204 -0.000015
C3H4O2S 2H-Thiete-1,1-dioxide -665.407943 -665.407928 -0.000015
CF3+ Trifluoromethyl cation -337.234097 -337.234112 0.000015
AlF3 Aluminum trifluoride -542.332312 -542.332326 0.000015
TiCl4 Titanium tetrachloride -2690.723764 -2690.723750 -0.000015
AlCl Aluminum monochloride -702.749733 -702.749747 0.000015
CH3COC6H5 acetophenone -385.035142 -385.035128 -0.000015
LiBr+ lithium bromide anion -2578.974894 -2578.974908 0.000015
Na2O disodium monoxide -399.787900 -399.787914 0.000015
F2 Fluorine diatomic -199.563027 -199.563012 -0.000015
F2 Fluorine diatomic -199.563027 -199.563012 -0.000015
AlCl Aluminum monochloride -702.750767 -702.750782 0.000015
PBr3 Phosphorus tribromide -8063.902950 -8063.902935 -0.000015
F2 Fluorine diatomic -199.563027 -199.563012 -0.000015
F2 Fluorine diatomic -199.563027 -199.563012 -0.000015
C4H9N Cyclobutylamine -212.556926 -212.556911 -0.000015
SO2 Sulfur dioxide -548.710430 -548.710444 0.000015
CH3CHFCl Ethane, 1-chloro-1-fluoro- -638.656600 -638.656585 -0.000015
OClO+ Chlorine dioxide cation -610.147852 -610.147867 0.000015
C6H5NO2 Nitrobenzene -436.750585 -436.750570 -0.000015
S3 Sulfur trimer -1194.663645 -1194.663630 -0.000015
H2Br+ protonated hydrogen bromide -2574.987241 -2574.987256 0.000015
Cl2 Chlorine diatomic -920.406726 -920.406712 -0.000015
CH3SCH3 Dimethyl sulfide -478.025920 -478.025934 0.000015
PS phosphorus sulfide -735.821548 -735.821563 0.000015
PS phosphorus sulfide -735.821548 -735.821563 0.000015
ONONO Nitrosyl nitrite -335.003251 -335.003236 -0.000015
PS- phosphorus monosulfide anion -739.570222 -739.570237 0.000015
AlF3 Aluminum trifluoride -542.332312 -542.332326 0.000014
C10H8 naphthalene -386.029008 -386.028994 -0.000014
C3H8O2S (Methylsulphonyl)ethane -667.716485 -667.716471 -0.000014
CH3SCH2CH3 Ethane, (methylthio)- -517.413389 -517.413375 -0.000014
CH3SCH3 Dimethyl sulfide -478.013808 -478.013823 0.000014
LiO lithium oxide -82.690088 -82.690102 0.000014
LiO lithium oxide -82.690088 -82.690102 0.000014
C3H3N3O3 cyanuric acid -506.267533 -506.267547 0.000014
CaH+ Calcium monohydride cation -677.939731 -677.939717 -0.000014
CH3CSCH3 Thioacetone -516.131205 -516.131191 -0.000014
S3 Sulfur trimer -1194.661474 -1194.661460 -0.000014
Ca2 Calcium dimer -1355.153004 -1355.152990 -0.000014
Si Silicon atom -289.399167 -289.399181 0.000014
H2Br+ protonated hydrogen bromide -2574.988727 -2574.988741 0.000014
C24H12 Coronene -922.193566 -922.193551 -0.000014
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- -1234.888925 -1234.888940 0.000014
C4H9N Cyclobutylamine -212.583835 -212.583820 -0.000014
C3H6O Oxetane -193.150732 -193.150747 0.000014
C6H12 (Z)-hex-2-ene -235.944634 -235.944620 -0.000014
P Phosphorus atom -339.548405 -339.548420 0.000014
P Phosphorus atom -339.548405 -339.548420 0.000014
SO2 Sulfur dioxide -548.704908 -548.704923 0.000014
Se2+ selenium dimer cation -4798.428144 -4798.428130 -0.000014
C8H6 benzocyclobutadiene -308.360334 -308.360320 -0.000014
CH2CHOCHCH2 Vinyl ether -231.290827 -231.290813 -0.000014
NaF+ sodium fluoride cation -261.811381 -261.811367 -0.000014
CH3NHNHCH3 dimethyl hydrazine -190.477325 -190.477339 0.000014
C6H8 (Z)-hexa-1,3,5-triene -233.489556 -233.489570 0.000014
C4H8Cl2 Butane, 1,3-dichloro- -1077.788261 -1077.788247 -0.000014
S Sulfur atom -398.142260 -398.142274 0.000014
Cl2CS Thiophosgene -1356.786161 -1356.786175 0.000014
PBr3 Phosphorus tribromide -8063.914220 -8063.914206 -0.000014
Br- Bromine atom anion -2571.761339 -2571.761353 0.000014
S Sulfur atom -398.142260 -398.142274 0.000014
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.702866 -638.702880 0.000014
FNO3 Fluorine nitrate -380.157205 -380.157191 -0.000014
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- -3246.668932 -3246.668946 0.000014
P Phosphorus atom -339.616855 -339.616869 0.000014
P Phosphorus atom -339.616855 -339.616869 0.000014
C5H8 1,2-Butadiene, 3-methyl- -195.370128 -195.370142 0.000014
Br+ Bromine atom cation -2571.220712 -2571.220726 0.000014
C6H5CHO benzaldehyde -345.573456 -345.573442 -0.000014
C3H6O Oxetane -193.150733 -193.150747 0.000014
CHBr bromomethylene -2610.269035 -2610.269049 0.000014
Cl2CS Thiophosgene -1356.784150 -1356.784164 0.000014
C6H10 Bicyclo[3.1.0]hexane -234.716552 -234.716538 -0.000014
V Vanadium atom -943.926788 -943.926802 0.000014
V Vanadium atom -943.926788 -943.926802 0.000014
NaCN Sodium Cyanide -255.176015 -255.176029 0.000014
Ar Argon atom -527.513313 -527.513299 -0.000014
AlF2Cl Aluminum chloride difluoride -902.688462 -902.688476 0.000014
CCl2O Phosgene -1033.841346 -1033.841332 -0.000014
SO3+ Sulfur trioxide cation -623.297856 -623.297870 0.000014
CH3NO2 Methane, nitro- -245.109453 -245.109439 -0.000014
C4H6OS 2,3-dihydrothiophene-2-ol -629.551753 -629.551739 -0.000014
Al Aluminum atom -242.389786 -242.389772 -0.000014
C6H4F2 1,4-difluorobenzene -430.888400 -430.888414 0.000014
C5H6N+ Pyridinium -248.670579 -248.670565 -0.000014
Na2O disodium monoxide -399.860160 -399.860146 -0.000014
Na2O disodium monoxide -399.860160 -399.860146 -0.000014
CF3+ Trifluoromethyl cation -337.266233 -337.266247 0.000014
SCl2 Sulfur dichloride -1318.685629 -1318.685643 0.000014
ClONO chlorine nitrite -661.895104 -661.895091 -0.000014
NCl nitrogen monochloride -514.824237 -514.824251 0.000014
B3N3H6 borazine -242.772643 -242.772656 0.000014
CFCl3 Trichloromonofluoromethane -1518.504917 -1518.504903 -0.000014
C5H6N+ Pyridinium -248.671794 -248.671780 -0.000014
BF3+ boron trifluoride cation -324.009326 -324.009339 0.000014
CCl3CHO trichloroacetaldehyde -1532.586713 -1532.586699 -0.000014
Si2H6 disilane -582.582745 -582.582731 -0.000014
C5H12S 1-Butanethiol, 3-methyl- -596.067799 -596.067813 0.000014
C5H8 1,2-Butadiene, 3-methyl- -195.314200 -195.314214 0.000014
Cl Chlorine atom -460.136256 -460.136242 -0.000014
C5H8 1,3-Butadiene, 2-methyl- -195.387512 -195.387498 -0.000014
C2F6 hexafluoroethane -675.536045 -675.536031 -0.000014
SiCl+ silicon monochloride cation -749.386250 -749.386264 0.000014
Cl Chlorine atom -460.136256 -460.136242 -0.000014
FO- flourine oxide anion -175.032985 -175.032999 0.000014
CCl- carbon monochloride anion -498.158731 -498.158744 0.000014
C5H8 1,2-Butadiene, 3-methyl- -195.371781 -195.371795 0.000014
C2Cl2 dichloroacetylene -996.610267 -996.610253 -0.000014
Ar Argon atom -527.560002 -527.559988 -0.000014
OCSe Carbonyl selenide -2515.019234 -2515.019248 0.000014
ClF+ clorine monofluoride cation -559.572130 -559.572144 0.000014
C4H6O2 2,3-Butanedione -306.599149 -306.599136 -0.000014
LiO- lithium oxide anion -82.688210 -82.688224 0.000014
ClF3 Chlorine trifluoride -759.563226 -759.563213 -0.000014
C3H5Cl3 Propane, 1,2,3-trichloro- -1498.081327 -1498.081313 -0.000014
CH3CH2CH2Br n-propyl bromide -2692.821279 -2692.821293 0.000014
C4H9N Cyclobutylamine -212.645821 -212.645808 -0.000014
CH3SSCH3 Disulfide, dimethyl -876.318025 -876.318012 -0.000014
NO3- nitrate anion -280.425190 -280.425176 -0.000014
AlF3 Aluminum trifluoride -542.345886 -542.345900 0.000013
C2H4CO3 Ethylene carbonate -342.521893 -342.521907 0.000013
FOOF Perfluoroperoxide -349.965417 -349.965404 -0.000013
C5H5NO 3(4H)-Pyridinone -323.592642 -323.592655 0.000013
Cl Chlorine atom -460.131384 -460.131370 -0.000013
NaH+ sodium hydride cation -162.603547 -162.603560 0.000013
NaH+ sodium hydride cation -162.603547 -162.603560 0.000013
C4H8S Thiophene, tetrahydro- -555.436600 -555.436586 -0.000013
NaH+ sodium hydride cation -162.603599 -162.603612 0.000013
NaO+ sodium oxide cation -237.158177 -237.158164 -0.000013
HO2CCHNH2CH2OH Serine -398.945684 -398.945697 0.000013
NaH+ sodium hydride cation -162.603599 -162.603612 0.000013
ClO+ chlorine monoxide cation -534.836828 -534.836842 0.000013
C8H6 benzocyclobutadiene -308.379447 -308.379433 -0.000013
BeF2 Beryllium fluoride -214.690922 -214.690908 -0.000013
C5H8 1,4-Pentadiene -195.378210 -195.378197 -0.000013
GaAs Gallium arsenide -4160.711780 -4160.711793 0.000013
CH2ClBr Methane, bromochloro- -3071.204473 -3071.204487 0.000013
CH3CH2O Ethoxy radical -154.370473 -154.370487 0.000013
C5H12O 1-Butanol, 3-methyl- -273.091237 -273.091251 0.000013
CHClCHCH2CH3 (Z)-1-Chloro-1-butene -616.918594 -616.918581 -0.000013
C3H4O2S 2H-Thiete-1,1-dioxide -665.401812 -665.401799 -0.000013
Cl3PO Phosphoryl chloride -1797.438232 -1797.438219 -0.000013
MgCO3 Magnesium Carbonate -463.973791 -463.973804 0.000013
SiF silicon monofluoride -389.304216 -389.304229 0.000013
SiF silicon monofluoride -389.304216 -389.304229 0.000013
BHCl2 Borane, dichloro- -945.920209 -945.920195 -0.000013
C5H6N+ Pyridinium -248.656978 -248.656965 -0.000013
SCl2 Sulfur dichloride -1318.685630 -1318.685643 0.000013
CCl2O Phosgene -1033.838332 -1033.838319 -0.000013
CF2O Carbonic difluoride -313.146350 -313.146363 0.000013
Si Silicon atom -289.396771 -289.396758 -0.000013
BF3 Borane, trifluoro- -324.653462 -324.653475 0.000013
BF3 Borane, trifluoro- -324.653462 -324.653475 0.000013
C4H8O2 Ethene, 1,1-dimethoxy- -307.641648 -307.641635 -0.000013
CF3+ Trifluoromethyl cation -337.363972 -337.363959 -0.000013
C6H10 2,4-Hexadiene, (E,Z)- -234.629752 -234.629739 -0.000013
BeF2 Beryllium fluoride -214.697329 -214.697316 -0.000013
NF- nitrogen monofluorine anion -154.402719 -154.402732 0.000013
C5H6N+ Pyridinium -248.668074 -248.668061 -0.000013
AsCl3 Arsenous trichloride -3616.639844 -3616.639857 0.000013
CH3CHF2 Ethane, 1,1-difluoro- -278.331884 -278.331897 0.000013
C3H5ClO Oxirane, (chloromethyl)- -652.818038 -652.818051 0.000013
C3H6O3 1,3,5-Trioxane -343.707293 -343.707306 0.000013
C4H10O2 1,1-Dimethoxyethane -308.862229 -308.862242 0.000013
NF3+ Nitrogen trifluoride cation -353.773844 -353.773831 -0.000013
BF Boron monofluoride -26.958686 -26.958673 -0.000013
C10H8 naphthalene -386.025558 -386.025545 -0.000013
C6H10 2-Hexyne -234.699213 -234.699200 -0.000013
GaAs Gallium arsenide -4160.672274 -4160.672287 0.000013
CF3+ Trifluoromethyl cation -337.363972 -337.363959 -0.000013
C4F4 tetrafluorcyclobutadiene -551.819386 -551.819373 -0.000013
C2F6 hexafluoroethane -675.548495 -675.548482 -0.000013
AlF3 Aluminum trifluoride -542.340838 -542.340851 0.000013
CH3CH2Cl Ethyl chloride -539.436990 -539.436977 -0.000013
C5H8 1,4-Pentadiene -195.320548 -195.320535 -0.000013
S Sulfur atom -396.162259 -396.162246 -0.000013
S Sulfur atom -396.162259 -396.162246 -0.000013
C5H8O Furan, 2,3-dihydro-5-methyl- -270.546321 -270.546308 -0.000013
SF3 Sulfur trifluoride -697.800679 -697.800666 -0.000013
CH2FCl fluorochloromethane -599.350356 -599.350343 -0.000013
CF3+ Trifluoromethyl cation -337.366701 -337.366688 -0.000013
Li3N trilithium nitride -76.872259 -76.872246 -0.000013
C2H Ethynyl radical -76.611822 -76.611835 0.000013
CF3OH trifluoromethanol -413.638743 -413.638756 0.000013
SiCl2 Dichlorosilylene -1209.953592 -1209.953605 0.000013
CF2O Carbonic difluoride -313.141006 -313.141019 0.000013
C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- -213.797622 -213.797635 0.000013
S Sulfur atom -396.162259 -396.162246 -0.000013
S Sulfur atom -396.162259 -396.162246 -0.000013
SF2- sulfur difluoride anion -597.941731 -597.941744 0.000013
HOF Hypofluorous acid -175.613141 -175.613153 0.000013
NaO sodium monoxide -237.447509 -237.447521 0.000013
HCO3- bicarbonate anion -264.425677 -264.425690 0.000013
SO2 Sulfur dioxide -545.714375 -545.714362 -0.000013
AlF3 Aluminum trifluoride -542.340838 -542.340851 0.000013
V Vanadium atom -943.910133 -943.910120 -0.000013
C5H10S Thiophene, tetrahydro-3-methyl- -594.750059 -594.750071 0.000013
NaCN Sodium Cyanide -255.198337 -255.198349 0.000013
IBr Iodine monobromide -9493.681187 -9493.681175 -0.000013
PCl5 Phosphorus pentachloride -2642.609278 -2642.609291 0.000013
C9H8 Indene -347.883552 -347.883540 -0.000013
C4H8Cl2 Butane, 1,3-dichloro- -1077.651123 -1077.651110 -0.000013
CH2CHCONH2 Acrylamide -247.400756 -247.400743 -0.000013
NaO sodium monoxide -237.467842 -237.467854 0.000013
Cl2CS Thiophosgene -1356.788671 -1356.788684 0.000013
C6H5CH3 toluene -271.566650 -271.566638 -0.000013
SCl2 Sulfur dichloride -1318.687824 -1318.687837 0.000013
CS2- Carbon disulfide anion -834.582607 -834.582595 -0.000013
H3PO4 Phosphoric Acid -644.131499 -644.131511 0.000013
N2F2 Dinitrogen difluoride, (E)- -309.008521 -309.008533 0.000013
NaF- sodium fluoride anion -262.263269 -262.263257 -0.000013
HOF Hypofluorous acid -175.607256 -175.607269 0.000013
CH3CSCH3 Thioacetone -516.143033 -516.143021 -0.000013
PO4--- phosphate -642.144618 -642.144630 0.000012
CH3CH2O Ethoxy radical -154.436628 -154.436640 0.000012
ScH3 Scandium trihydride -762.446025 -762.446013 -0.000012
S Sulfur atom -398.139337 -398.139349 0.000012
LiO lithium oxide -82.723384 -82.723372 -0.000012
LiO lithium oxide -82.723384 -82.723372 -0.000012
C6H10 2-Hexyne -234.697408 -234.697396 -0.000012
F Fluorine atom -99.182180 -99.182167 -0.000012
F Fluorine atom -99.182180 -99.182167 -0.000012
Cl3PO Phosphoryl chloride -1797.434350 -1797.434338 -0.000012
C5H12O 1-Butanol, 3-methyl- -272.972278 -272.972290 0.000012
DOCl Hypochlorous acid-d -536.029573 -536.029586 0.000012
Cl Chlorine atom -460.178675 -460.178687 0.000012
GaH+ Gallium monohydride cation -1925.121738 -1925.121726 -0.000012
HOCl hypochlorous acid -536.029574 -536.029586 0.000012
CHCl3 Chloroform -1419.279123 -1419.279110 -0.000012
AlCl Aluminum monochloride -702.732053 -702.732066 0.000012
NaCN Sodium Cyanide -255.195878 -255.195890 0.000012
SiF4 Silicon tetrafluoride -689.332861 -689.332848 -0.000012
C6H6 Benzene -232.248661 -232.248649 -0.000012
LiBr Lithium Bromide -2579.313617 -2579.313630 0.000012
LiO lithium oxide -82.709194 -82.709182 -0.000012
CH2FCl fluorochloromethane -599.331955 -599.331943 -0.000012
PS- phosphorus monosulfide anion -739.535455 -739.535467 0.000012
C6H12 2,3-dimethylbut-1-ene -235.875466 -235.875453 -0.000012
SiF2+ Silicon difluoride cation -488.969847 -488.969859 0.000012
C5H5N Pyridine -248.284973 -248.284961 -0.000012
C8H6 Calicene -308.424887 -308.424899 0.000012
C5H11N Cyclopentanamine -251.900177 -251.900189 0.000012
NaBr+ sodium bromide cation -2733.762411 -2733.762423 0.000012
CH3CCl3 Ethane, 1,1,1-trichloro- -1458.746445 -1458.746433 -0.000012
O3- Ozone anion -225.602548 -225.602535 -0.000012
C5H8 1,4-Pentadiene -195.376295 -195.376283 -0.000012
N(CH3)3 Trimethylamine -174.474414 -174.474402 -0.000012
PN- phosphorus nitride anion -396.047404 -396.047391 -0.000012
C4H12N2 1,2-Butanediamine -269.140470 -269.140482 0.000012
GeH+ Germaniun monohyrdide cation -2077.252971 -2077.252983 0.000012
NaOCH3 Sodium methoxide -277.490901 -277.490913 0.000012
C5H8O Methyl cyclopropyl ketone -269.053218 -269.053206 -0.000012
C3H8O3 1,2,3-Propanetriol -344.763444 -344.763456 0.000012
C4H10O 1-Butanol -233.765943 -233.765931 -0.000012
N(CH3)3 Trimethylamine -174.544593 -174.544581 -0.000012
C6H14 Pentane, 3-methyl- -237.083238 -237.083226 -0.000012
CF3OH trifluoromethanol -413.647047 -413.647059 0.000012
NBr3 Nitrogen Tribromide -7769.814428 -7769.814440 0.000012
Zn Zinc atom -1779.353530 -1779.353518 -0.000012
C4F4 tetrafluorcyclobutadiene -551.807322 -551.807310 -0.000012
NaCN Sodium Cyanide -253.620638 -253.620650 0.000012
Mg(OH)2 Magnesium dihydroxide -351.790839 -351.790851 0.000012
C6H4F2 metadifluorobenzene -430.714993 -430.714981 -0.000012
CaCl2 Calcium Chloride -1598.106245 -1598.106257 0.000012
C5H10S 2H-Thiopyran, tetrahydro- -594.861314 -594.861302 -0.000012
CF3 Trifluoromethyl radical -337.703575 -337.703563 -0.000012
C5H5- cylopentadienyl anion -193.500750 -193.500762 0.000012
S Sulfur atom -398.139297 -398.139309 0.000012
C4H8O2 Ethyl acetate -307.732369 -307.732357 -0.000012
C3H8O3 1,2,3-Propanetriol -344.933163 -344.933175 0.000012
C8H6 benzocyclobutadiene -308.466894 -308.466882 -0.000012
CF3 Trifluoromethyl radical -337.703575 -337.703563 -0.000012
PCl5 Phosphorus pentachloride -2642.613154 -2642.613166 0.000012
C(CN)4 tetracyanomethane -409.539759 -409.539770 0.000012
SF2+ sulfur difluoride cation -597.571157 -597.571169 0.000012
S Sulfur atom -398.139297 -398.139309 0.000012
MgCl+ magnesium monochloride cation -660.037592 -660.037604 0.000012
NaF sodium fluoride -262.206228 -262.206240 0.000012
NaF sodium fluoride -262.206228 -262.206240 0.000012
NaOCH3 Sodium methoxide -277.493988 -277.494000 0.000012
C3H8O2 Methane, dimethoxy- -269.542453 -269.542465 0.000012
CH2ClCHO chloroacetaldehyde -613.419165 -613.419177 0.000012
C5H5N Pyridine -248.303368 -248.303356 -0.000012
C4H10O2 1,3-Butanediol -308.870292 -308.870280 -0.000012
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.753362 -638.753374 0.000012
C3H3N3O3 cyanuric acid -503.325902 -503.325914 0.000012
OClO Chlorine dioxide -610.417258 -610.417270 0.000012
OClO Chlorine dioxide -610.417258 -610.417270 0.000012
C6H12 2,3-dimethylbut-1-ene -235.902808 -235.902796 -0.000012
CH3C(SCH3)HCH3 Propane, 2-(methylthio)- -556.740260 -556.740248 -0.000012
CH3COCH2CH3 2-Butanone -232.564575 -232.564586 0.000012
NaOH sodium hydroxide -238.182576 -238.182588 0.000012
AlCl Aluminum monochloride -702.687329 -702.687341 0.000012
SeS+ selenium monosulfide cation -2797.217015 -2797.217026 0.000012
MgCO3 Magnesium Carbonate -461.280421 -461.280432 0.000012
C6H10 1,3-Hexadiene, (Z)- -234.617844 -234.617832 -0.000012
Cl Chlorine atom -460.175319 -460.175331 0.000012
PF5 Phosphorus pentafluoride -840.945744 -840.945756 0.000012
HOCl hypochlorous acid -536.025513 -536.025525 0.000012
FO+ fluorine monoxide cation -174.402803 -174.402814 0.000012
DOCl Hypochlorous acid-d -536.025513 -536.025525 0.000012
CH3CH2OH Ethanol -155.110262 -155.110250 -0.000012
C5H5NO 3(6H)-Pyridinone -323.597953 -323.597964 0.000012
SO3- Sulfur trioxide anion -624.015722 -624.015711 -0.000012
C4F4 tetrafluorcyclobutadiene -551.502089 -551.502078 -0.000012
C8H6 Calicene -308.333733 -308.333744 0.000012
C8H6 Calicene -308.348813 -308.348825 0.000012
C3H6O Oxetane -193.105019 -193.105030 0.000012
CH3CCCH3 2-Butyne -156.043088 -156.043076 -0.000012
NO3- nitrate anion -280.335879 -280.335867 -0.000012
NO3- nitrate anion -280.335879 -280.335867 -0.000012
CH2CHCH3 Propene -117.954267 -117.954256 -0.000011
C3H6O Oxetane -193.105019 -193.105030 0.000011
P Phosphorus atom -341.286256 -341.286267 0.000011
C3H7OC3H7 di-n-propyl ether -312.290709 -312.290697 -0.000011
MgOH magnesium hydroxide -275.908750 -275.908762 0.000011
MgOH magnesium hydroxide -275.908750 -275.908762 0.000011
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.768641 -638.768653 0.000011
LiOH lithium hydroxide -83.367979 -83.367967 -0.000011
CH2SiH2 silaethylene -329.992834 -329.992845 0.000011
CH3COCl Acetyl Chloride -613.459008 -613.459019 0.000011
F2- flourine diatomic anion -199.725864 -199.725853 -0.000011
H2SO3 Sulfurous acid -621.716160 -621.716171 0.000011
C5H11N Cyclopentanamine -252.003226 -252.003215 -0.000011
C4H5NS 4-Methylthiazole -608.484136 -608.484124 -0.000011
SCl2 Sulfur dichloride -1318.637061 -1318.637073 0.000011
SCl2 Sulfur dichloride -1318.637061 -1318.637073 0.000011
SO Sulfur monoxide -473.390985 -473.390996 0.000011
CHBr bromomethylene -2612.814350 -2612.814339 -0.000011
CH2CHCl Ethene, chloro- -538.185403 -538.185391 -0.000011
C3H6O Oxetane -193.113211 -193.113223 0.000011
C6H12 2,3-dimethylbut-1-ene -235.877754 -235.877742 -0.000011
SO Sulfur monoxide -473.390985 -473.390996 0.000011
C3H6O Oxetane -193.113211 -193.113223 0.000011
LiN Lithium Nitride -62.165730 -62.165719 -0.000011
C6H12 (E)-3-methylpent-2-ene -235.945621 -235.945633 0.000011
C4H8OS s-Ethyl thioacetate -630.791598 -630.791587 -0.000011
C5H10 1-Butene, 2-methyl- -196.617721 -196.617710 -0.000011
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.763876 -638.763888 0.000011
C5H7N (E)-2-Pentenenitrile -249.466967 -249.466956 -0.000011
CH6N4S Carbonothioic dihydrazide -658.997003 -658.997015 0.000011
C3H3N3O3 cyanuric acid -506.318090 -506.318102 0.000011
C6H12 (E)-3-methylpent-2-ene -235.947306 -235.947317 0.000011
BBr Boron monobromide -2596.481387 -2596.481399 0.000011
CF2+ Difluoromethylene cation -237.284719 -237.284730 0.000011
ClOO+ chloroperoxy cation -610.137615 -610.137604 -0.000011
CHCl2CHO dichloroacetaldehyde -1073.147696 -1073.147685 -0.000011
CH2CHCH3 Propene -117.920867 -117.920856 -0.000011
CH3CHFCl Ethane, 1-chloro-1-fluoro- -638.775504 -638.775493 -0.000011
CCl2+ dichloromethylene cation -958.049256 -958.049245 -0.000011
CBrCl3 Methane, bromotrichloro- -3990.364054 -3990.364065 0.000011
CH3COCl Acetyl Chloride -613.548957 -613.548968 0.000011
CH2CHOCHCH2 Vinyl ether -231.210710 -231.210699 -0.000011
C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- -213.890613 -213.890624 0.000011
CH3CSCH3 Thioacetone -516.191432 -516.191444 0.000011
C4H9NO Propanamide, 2-methyl- -287.963924 -287.963913 -0.000011
C6H8 Bicyclo[3.1.0]hex-2-ene -233.397775 -233.397764 -0.000011
Al(CH3)3 trimethyl aluminum -357.894808 -357.894819 0.000011
PO Phosphorus monoxide -416.549518 -416.549507 -0.000011
C3H6O3 1,3,5-Trioxane -343.700319 -343.700330 0.000011
SF3 Sulfur trifluoride -697.798611 -697.798600 -0.000011
CF3COF trifluoroacetyl fluoride -550.956840 -550.956851 0.000011
C(CN)4 tetracyanomethane -409.535154 -409.535165 0.000011
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.648791 -638.648802 0.000011
C2H4CO3 Ethylene carbonate -342.417286 -342.417297 0.000011
C4H8O2 Ethyl acetate -306.016293 -306.016282 -0.000011
CH2CHCH3 Propene -117.958009 -117.957998 -0.000011
C4H4N2 Pyrazine -264.409482 -264.409471 -0.000011
CH2CHCH3 Propene -117.955027 -117.955016 -0.000011
HSO3 HOSO2 -624.353205 -624.353194 -0.000011
ScH3 Scandium trihydride -762.446003 -762.445992 -0.000011
CH3NNCH3 (Z)-1,2-Dimethyldiazene -189.335524 -189.335513 -0.000011
CHOCH2CH2CH3 Butanal -232.458976 -232.458965 -0.000011
LiF+ lithium fluoride cation -107.020655 -107.020644 -0.000011
C3H6O Oxetane -193.112154 -193.112165 0.000011
CDCl3 trichloromethane-d -1419.359961 -1419.359950 -0.000011
C4H4N2 Pyrazine -264.413335 -264.413324 -0.000011
C3H8O2S (Methylsulphonyl)ethane -667.888483 -667.888472 -0.000011
C4H6O Furan, 2,3-dihydro- -231.221786 -231.221797 0.000011
C3H5ClO2 Carbonochloridic acid, ethyl ester -728.126401 -728.126390 -0.000011
LiO lithium oxide -82.720375 -82.720364 -0.000011
LiO lithium oxide -82.720375 -82.720364 -0.000011
C6H8 Bicyclo[2.1.1]hex-2-ene -233.365008 -233.364997 -0.000011
CH2CHCH3 Propene -117.953725 -117.953714 -0.000011
C5H6N+ Pyridinium -247.293649 -247.293638 -0.000011
C4H8O2 Ethyl acetate -307.833256 -307.833245 -0.000011
C4H8O2 Ethyl acetate -307.748189 -307.748179 -0.000011
NaCN Sodium Cyanide -255.199330 -255.199341 0.000011
C6H12 (Z)-hex-2-ene -235.852042 -235.852031 -0.000011
C3H6O Oxetane -193.112154 -193.112165 0.000011
C5H8 1-pentyne -195.281036 -195.281025 -0.000011
C4H10O2 1,3-Butanediol -309.015641 -309.015630 -0.000011
CS2- Carbon disulfide anion -834.592050 -834.592040 -0.000011
C5H10O Oxetane, 3,3-dimethyl- -271.737983 -271.737972 -0.000011
H2S2 Disulfane -797.580176 -797.580186 0.000011
C5H10S Cyclopentanethiol -594.742320 -594.742309 -0.000011
ClO+ chlorine monoxide cation -534.970312 -534.970323 0.000011
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.654281 -638.654291 0.000011
CH3C(SCH3)HCH3 Propane, 2-(methylthio)- -556.742121 -556.742110 -0.000011
PO Phosphorus monoxide -416.549517 -416.549507 -0.000011
CH2ClCH2CH3 Propane, 1-chloro- -578.825918 -578.825928 0.000011
C4H8O2 Ethyl acetate -307.718568 -307.718558 -0.000011
MgCO3 Magnesium Carbonate -463.902023 -463.902034 0.000011
B3N3H6 borazine -242.670166 -242.670176 0.000011
C5H6N+ Pyridinium -248.706559 -248.706549 -0.000011
NaCN Sodium Cyanide -255.201032 -255.201043 0.000011
C(CN)4 tetracyanomethane -409.391293 -409.391304 0.000011
C2H3NO3 Oxamic acid -358.455906 -358.455896 -0.000011
C4H10O Ethoxy ethane -233.663460 -233.663449 -0.000011
C4H8O2 Ethyl acetate -307.707448 -307.707438 -0.000011
C3H7ONO Propyl nitrite -323.637041 -323.637052 0.000011
C4H8O2 Ethyl acetate -307.721499 -307.721488 -0.000011
CDCl3 trichloromethane-d -1419.279121 -1419.279110 -0.000011
C5H10S Cyclopentanethiol -594.853911 -594.853900 -0.000011
ONONO Nitrosyl nitrite -335.036021 -335.036010 -0.000011
CH3COF Acetyl fluoride -253.114018 -253.114028 0.000011
C6H5OCH3 Anisole -346.903569 -346.903559 -0.000011
ClF3 Chlorine trifluoride -759.441506 -759.441496 -0.000011
ClF3 Chlorine trifluoride -759.441506 -759.441496 -0.000011
CH2CClCH2CH3 1-Butene, 2-chloro- -616.820223 -616.820234 0.000011
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.671058 -638.671068 0.000011
C5H10O Pentanal -271.881101 -271.881090 -0.000011
Br2+ bromine diatomic cation -5148.067456 -5148.067466 0.000011
F2SO Thionyl Fluoride -673.069153 -673.069143 -0.000011
C6H10 cyclohexene -234.734126 -234.734137 0.000011
C6H15N triethylamine -292.526631 -292.526641 0.000011
C6H12 2,3-dimethylbut-1-ene -235.937765 -235.937754 -0.000011
H2S2 Disulfane -797.658543 -797.658553 0.000011
CH2CHCH3 Propene -117.922810 -117.922800 -0.000011
CH3NNCH3 (Z)-1,2-Dimethyldiazene -189.331740 -189.331730 -0.000011
SF3 Sulfur trifluoride -697.805352 -697.805342 -0.000011
C2H4CO3 Ethylene carbonate -342.534153 -342.534163 0.000010
C5H8 1,2-Pentadiene -195.309837 -195.309826 -0.000010
C4H10O 1-Butanol -233.761417 -233.761406 -0.000010
C4H11NO Diethylhydroxylamine -289.084920 -289.084909 -0.000010
Na2CO3 Sodium Carbonate -588.640840 -588.640829 -0.000010
ClOO chloroperoxy radical -610.463970 -610.463980 0.000010
ClOO chloroperoxy radical -610.463970 -610.463980 0.000010
C3H5Cl3 Propane, 1,2,3-trichloro- -1497.920731 -1497.920720 -0.000010
PS phosphorus sulfide -739.562751 -739.562762 0.000010
C6H12 2,3-dimethylbut-1-ene -235.944657 -235.944647 -0.000010
KF Potassium Fluoride -699.756088 -699.756099 0.000010
P Phosphorus atom -341.288809 -341.288819 0.000010
PS phosphorus sulfide -739.562751 -739.562762 0.000010
C2H6O2S Dimethyl sulfone -628.400813 -628.400823 0.000010
P Phosphorus atom -341.288809 -341.288819 0.000010
C3H5ClO Oxirane, (chloromethyl)- -652.701340 -652.701350 0.000010
SCl sulfur monochloride -858.337608 -858.337598 -0.000010
SCl sulfur monochloride -858.337608 -858.337598 -0.000010
C5H12O 1-Pentanol -272.974859 -272.974849 -0.000010
SCl sulfur monochloride -858.337608 -858.337598 -0.000010
ClNO2 Nitryl chloride -665.389225 -665.389235 0.000010
NO3- nitrate anion -280.357442 -280.357432 -0.000010
C5H6 3-Penten-1-yne, (E)- -194.134157 -194.134146 -0.000010
CCl2O Phosgene -1033.714382 -1033.714372 -0.000010
C4H8O2 Ethyl acetate -307.824122 -307.824112 -0.000010
C4H10O 1-Butanol -233.699243 -233.699233 -0.000010
CH2F2 Methane, difluoro- -239.081780 -239.081791 0.000010
H2OCH3OCH3 water dimethylether dimer -231.567064 -231.567054 -0.000010
ScH Scandium monohydride -761.172442 -761.172452 0.000010
CH3CSCH3 Thioacetone -516.189708 -516.189718 0.000010
CH3CH2NH2 Ethylamine -135.234599 -135.234589 -0.000010
NeH neon hydrogen -129.416583 -129.416593 0.000010
ScH+ Scandium monohydride cation -760.933150 -760.933160 0.000010
C4H10O2 Ethane, 1,2-dimethoxy- -308.855947 -308.855957 0.000010
CH3CH(NH2)COOH Alanine -323.878770 -323.878760 -0.000010
HSe+ selenium monohydride cation -2399.578060 -2399.578071 0.000010
HSe+ selenium monohydride cation -2399.578060 -2399.578071 0.000010
C4H8O2 Ethyl acetate -307.828772 -307.828762 -0.000010
FO Oxygen monofluoride -173.932235 -173.932224 -0.000010
FO Oxygen monofluoride -173.932235 -173.932224 -0.000010
ScH+ Scandium monohydride cation -760.930757 -760.930768 0.000010
C5H8 1,3-Butadiene, 2-methyl- -195.331803 -195.331793 -0.000010
CH3CHFCl Ethane, 1-chloro-1-fluoro- -638.771117 -638.771107 -0.000010
C2H6O2S Dimethyl sulfone -628.422892 -628.422902 0.000010
C4H3ClO Furan,3-chloro -689.694112 -689.694122 0.000010
CH3CH2OH Ethanol -155.105992 -155.105982 -0.000010
C3H3N3O3 cyanuric acid -506.336840 -506.336850 0.000010
PO2 Phosphorus dioxide -491.783652 -491.783642 -0.000010
AlF3 Aluminum trifluoride -542.326971 -542.326981 0.000010
PH4+ phosphonium cation -343.487488 -343.487477 -0.000010
C6H5OH phenol -307.464871 -307.464860 -0.000010
NS Mononitrogen monosulfide -452.858667 -452.858657 -0.000010
NS Mononitrogen monosulfide -452.858667 -452.858657 -0.000010
NS Mononitrogen monosulfide -452.858667 -452.858657 -0.000010
NS Mononitrogen monosulfide -452.858667 -452.858657 -0.000010
CH3COCl Acetyl Chloride -613.545936 -613.545946 0.000010
ScH Scandium monohydride -761.168250 -761.168261 0.000010
SO Sulfur monoxide -473.375321 -473.375331 0.000010
SO Sulfur monoxide -473.375321 -473.375331 0.000010
C2H4CO3 Ethylene carbonate -342.395593 -342.395603 0.000010
CuF2 Copper difluoride -1840.184093 -1840.184083 -0.000010
SF Monosulfur monofluoride -498.006096 -498.006086 -0.000010
SF Monosulfur monofluoride -498.006096 -498.006086 -0.000010
S2 Sulfur diatomic -796.362880 -796.362890 0.000010
S2 Sulfur diatomic -796.362880 -796.362890 0.000010
Al+ Aluminum atom cation -242.165066 -242.165076 0.000010
Al+ Aluminum atom cation -242.165066 -242.165076 0.000010
C6H6O 2,4-Cyclohexadienone -307.559013 -307.559023 0.000010
C4H5NO 3-Methylisoxazole -285.357334 -285.357324 -0.000010
C2H4CO3 Ethylene carbonate -342.528358 -342.528368 0.000010
PS phosphorus sulfide -739.557544 -739.557554 0.000010
PS phosphorus sulfide -739.557544 -739.557554 0.000010
ClFO3 Perchloryl fluoride -785.539676 -785.539666 -0.000010
C4H6N2 1H-Imidazole, 2-methyl- -265.537266 -265.537276 0.000010
C5H10 1-Butene, 2-methyl- -196.616175 -196.616165 -0.000010
CH3NNCH3 (Z)-1,2-Dimethyldiazene -189.267096 -189.267086 -0.000010
O Oxygen atom -75.060611 -75.060621 0.000010
N2- nitrogen diatomic anion -109.512115 -109.512125 0.000010
ClO+ chlorine monoxide cation -534.914647 -534.914657 0.000010
Ti Titanium atom -849.336046 -849.336036 -0.000010
Ti Titanium atom -849.336046 -849.336036 -0.000010
P Phosphorus atom -341.258080 -341.258090 0.000010
P Phosphorus atom -341.258080 -341.258090 0.000010
O Oxygen atom -75.060612 -75.060621 0.000010
ClS2 Sulfur chloride -1256.680225 -1256.680215 -0.000010
C2H3OC2H5 Ethene, ethoxy- -232.527729 -232.527719 -0.000010
C8H6 Calicene -308.428405 -308.428415 0.000010
O Oxygen atom -75.058320 -75.058330 0.000010
HSe+ selenium monohydride cation -2399.591728 -2399.591738 0.000010
C9H12 n-propyl benzene -350.194272 -350.194262 -0.000010
NH2CSNH2 Thiourea -548.319913 -548.319923 0.000010
C6H12 2,3-dimethylbut-1-ene -235.942835 -235.942825 -0.000010
CH2Cl2 Methylene chloride -959.696357 -959.696347 -0.000010
HSe+ selenium monohydride cation -2399.591728 -2399.591738 0.000010
P Phosphorus atom -341.258080 -341.258090 0.000010
P Phosphorus atom -341.258080 -341.258090 0.000010
SiH3F monofluorosilane -391.180559 -391.180549 -0.000010
KrF2 Krypton difluoride -2953.233873 -2953.233863 -0.000010
SiCl2 Dichlorosilylene -1210.062663 -1210.062673 0.000010
C3H8O2S (Methylsulphonyl)ethane -667.882581 -667.882571 -0.000010
H2S2 Disulfane -797.656900 -797.656909 0.000010
CH2F2 Methane, difluoro- -239.088391 -239.088401 0.000010
C3H7ONO Propyl nitrite -323.638922 -323.638932 0.000010
NH2CONH2 Urea -225.370400 -225.370390 -0.000010
CDCl3 trichloromethane-d -1419.346922 -1419.346912 -0.000010
CH2Br bromomethyl radical -2613.490659 -2613.490649 -0.000010
H3PO4 Phosphoric Acid -644.344019 -644.344009 -0.000010
NO3+ nitrogen trioxide cation -279.720814 -279.720804 -0.000010
B Boron atom -24.518619 -24.518629 0.000010
B Boron atom -24.518619 -24.518629 0.000010
C4H12N2 2-Methyl-1,2-propanediamine -269.263824 -269.263814 -0.000010
CH3CCl3 Ethane, 1,1,1-trichloro- -1458.743643 -1458.743633 -0.000010
CF3Cl Methane, chlorotrifluoro- -797.999457 -797.999447 -0.000010
C5H12S 1-Butanethiol, 3-methyl- -595.951967 -595.951977 0.000010
LiN Lithium Nitride -62.098713 -62.098703 -0.000010
P Phosphorus atom -341.255335 -341.255345 0.000010
MgCO3 Magnesium Carbonate -463.986112 -463.986122 0.000010
NH2CONH2 Urea -225.370400 -225.370390 -0.000010
SO2 Sulfur dioxide -548.669168 -548.669178 0.000010
C6H14 Butane, 2,3-dimethyl- -237.173995 -237.174004 0.000010
C4H6OS 2,5-dihydrothiophene-3-ol -629.555022 -629.555031 0.000010
C3H7OC3H7 di-n-propyl ether -312.299415 -312.299424 0.000010
CH3CH2Cl Ethyl chloride -539.497818 -539.497808 -0.000010
NaCN Sodium Cyanide -255.179480 -255.179490 0.000010
CH3CHCHCH3 2-Butene, (E)- -157.290798 -157.290788 -0.000010
PS- phosphorus monosulfide anion -739.650249 -739.650259 0.000010
CF3OH trifluoromethanol -413.532015 -413.532024 0.000010
C2F4 Tetrafluoroethylene -475.711461 -475.711471 0.000010
C4H6O2 2-Propenoic acid, methyl ester -306.593096 -306.593086 -0.000010
ClOO chloroperoxy radical -610.471395 -610.471405 0.000010
ClOO chloroperoxy radical -610.471395 -610.471405 0.000010
C3H6O Oxetane -192.042897 -192.042907 0.000010
PO Phosphorus monoxide -416.565040 -416.565030 -0.000010
CSe Carbon monoselenide -2439.650405 -2439.650415 0.000010
PO Phosphorus monoxide -416.530568 -416.530558 -0.000010
S Sulfur atom -398.101113 -398.101103 -0.000010
S Sulfur atom -398.101113 -398.101103 -0.000010
CH2SHCH2SH 1,2-Ethanedithiol -876.193321 -876.193330 0.000010
C12H10N2 azobenzene -572.959646 -572.959636 -0.000010
O Oxygen atom -75.085374 -75.085384 0.000010
NCl nitrogen monochloride -514.887004 -514.887013 0.000010
C3H6O Oxetane -192.042897 -192.042907 0.000010
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- -1756.569749 -1756.569759 0.000010
BHF2 Difluoroborane -225.264877 -225.264887 0.000010
C4H9ClO 1-Chloro-2-ethoxyethane -693.390351 -693.390361 0.000010
CH2O2 Dioxirane -189.615543 -189.615552 0.000010
As+ Arsenic cation -2235.486525 -2235.486515 -0.000010
ScH+ Scandium monohydride cation -760.929281 -760.929291 0.000010
CH3CHSHCH3 2-Propanethiol -517.415919 -517.415929 0.000010
PO Phosphorus monoxide -416.530568 -416.530559 -0.000010
C3H4O2 β–Propiolactone -267.261681 -267.261691 0.000010
CH2CHOCHCH2 Vinyl ether -231.291517 -231.291507 -0.000010
C2H5NH+ Protonated Aziridine -134.297827 -134.297817 -0.000010
BF3 Borane, trifluoro- -324.690656 -324.690666 0.000010
BF3 Borane, trifluoro- -324.690656 -324.690666 0.000010
C2H6N2O2 (E)-Azodioxymethane -339.626679 -339.626689 0.000010
CO- carbon monoxide anion -113.320678 -113.320668 -0.000010
C4H10O 2-Butanol, (.+/-.)- -233.667443 -233.667452 0.000009
ClS2 Sulfur chloride -1256.678174 -1256.678165 -0.000009
H3Se+ Hydrogen Selenide, protonated -2400.856139 -2400.856148 0.000009
PO2 Phosphorus dioxide -491.770891 -491.770881 -0.000009
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.729271 -638.729280 0.000009
C5H10 Cyclopentane -196.557076 -196.557067 -0.000009
C2H7+ Ethane, protonated -80.063168 -80.063159 -0.000009
C3H7OC3H7 di-n-propyl ether -312.291314 -312.291323 0.000009
N2O- Nitrous oxide anion -183.564553 -183.564563 0.000009
SiCl2 Dichlorosilylene -1210.061077 -1210.061086 0.000009
FO Oxygen monofluoride -174.948815 -174.948824 0.000009
NeH neon hydrogen -129.468514 -129.468523 0.000009
BeCO3 Beryllium Carbonate -278.691922 -278.691932 0.000009
CH3OH- Methyl alcohol anion -115.722372 -115.722362 -0.000009
C4F4 tetrafluorcyclobutadiene -551.623825 -551.623834 0.000009
C4H7NO 2-Pyrrolidinone -286.630100 -286.630109 0.000009
C6H10 2,4-Hexadiene, (Z,Z)- -234.720058 -234.720067 0.000009
CH3CHSHCH3 2-Propanethiol -517.328812 -517.328821 0.000009
C3H4O2 β–Propiolactone -267.256985 -267.256994 0.000009
C8H6 Calicene -308.314249 -308.314258 0.000009
Cl2 Chlorine diatomic -920.352739 -920.352730 -0.000009
C4H8O2 Ethyl acetate -307.785791 -307.785782 -0.000009
CH3C(SCH3)HCH3 Propane, 2-(methylthio)- -556.662349 -556.662340 -0.000009
SiH3F monofluorosilane -391.262415 -391.262424 0.000009
ClF+ clorine monofluoride cation -559.484083 -559.484092 0.000009
PO Phosphorus monoxide -416.565039 -416.565030 -0.000009
CH2SiH2 silaethylene -329.941729 -329.941738 0.000009
C4H6O2 Crotonic Acid -306.481884 -306.481874 -0.000009
CH3CH2CH2CH3 Butane -158.521088 -158.521078 -0.000009
C4H10O Methyl propyl ether -233.658217 -233.658208 -0.000009
NCl nitrogen monochloride -514.758436 -514.758446 0.000009
Ar Argon atom -527.563519 -527.563528 0.000009
Cl2 Chlorine diatomic -920.352739 -920.352730 -0.000009
SO Sulfur monoxide -473.352481 -473.352491 0.000009
SO Sulfur monoxide -473.352481 -473.352491 0.000009
CH3NNCH3 (Z)-1,2-Dimethyldiazene -189.285701 -189.285692 -0.000009
CH2Cl2 Methylene chloride -959.789962 -959.789953 -0.000009
C4H2O3 Maleic Anhydride -379.289545 -379.289535 -0.000009
ScH Scandium monohydride -761.166908 -761.166917 0.000009
AlCl+ aluminum monochloride cation -702.409972 -702.409982 0.000009
CHCCH2CH3 1-Butyne -155.120706 -155.120696 -0.000009
NS Mononitrogen monosulfide -452.864221 -452.864212 -0.000009
NS Mononitrogen monosulfide -452.864221 -452.864212 -0.000009
CH2ClCH2CH2CH3 Butane, 1-chloro- -618.153938 -618.153929 -0.000009
CH3OCl methyl hypochlorite -575.255357 -575.255366 0.000009
MgCO3 Magnesium Carbonate -464.014889 -464.014898 0.000009
CH2CHOCHCH2 Vinyl ether -231.294881 -231.294872 -0.000009
HCOOHH2O Formic acid water dimer -266.320802 -266.320793 -0.000009
H2S2 Disulfane -797.571777 -797.571786 0.000009
BF Boron monofluoride -26.955478 -26.955469 -0.000009
P4 Phosphorus tetramer -1365.581820 -1365.581811 -0.000009
ScH3 Scandium trihydride -762.428628 -762.428619 -0.000009
C3H7OC3H7 di-n-propyl ether -312.412141 -312.412150 0.000009
CH3CH2Cl Ethyl chloride -539.496323 -539.496314 -0.000009
H2SO3 Sulfurous acid -625.166259 -625.166268 0.000009
ClFO3 Perchloryl fluoride -785.531702 -785.531693 -0.000009
CH2CCl2 Ethene, 1,1-dichloro- -997.883550 -997.883559 0.000009
CH2ClCH2CH2CH3 Butane, 1-chloro- -618.053851 -618.053842 -0.000009
Si Silicon atom -289.396342 -289.396333 -0.000009
HSe+ selenium monohydride cation -2401.765123 -2401.765114 -0.000009
CF3Cl Methane, chlorotrifluoro- -798.006356 -798.006347 -0.000009
C2H3Br vinyl bromide -2652.251094 -2652.251103 0.000009
CH3NNCH3 (Z)-1,2-Dimethyldiazene -189.260116 -189.260106 -0.000009
TiH Titanium monohydride -849.943959 -849.943950 -0.000009
SiH3CCl3 (trichloromethyl)silane -1709.968874 -1709.968865 -0.000009
CH3CH2NH2 Ethylamine -135.231468 -135.231459 -0.000009
HSe+ selenium monohydride cation -2401.765123 -2401.765114 -0.000009
C3H5Cl 1-Propene, 3-chloro- -577.588835 -577.588826 -0.000009
O Oxygen atom -75.068488 -75.068497 0.000009
C4H10O 1-Propanol, 2-methyl- -233.766455 -233.766464 0.000009
BeCO3 Beryllium Carbonate -278.686910 -278.686919 0.000009
NF nitrogen fluoride -154.435915 -154.435924 0.000009
NF nitrogen fluoride -154.435915 -154.435924 0.000009
SO2 Sulfur dioxide -42.065145 -42.065154 0.000009
FNO3 Fluorine nitrate -379.991913 -379.991904 -0.000009
CF2O Carbonic difluoride -313.028625 -313.028634 0.000009
CH2CHCH3 Propene -117.891383 -117.891374 -0.000009
C2F4 Tetrafluoroethylene -475.701841 -475.701850 0.000009
CaH2 Calcium Hydride -678.689873 -678.689882 0.000009
CH3CCCH3 2-Butyne -156.041703 -156.041694 -0.000009
NaBr- sodium bromide anion -2734.105509 -2734.105518 0.000009
PO2- Phosphorus dioxide anion -491.869886 -491.869895 0.000009
C4H10O 1-Butanol -233.661082 -233.661073 -0.000009
CH2CHCH3 Propene -117.891314 -117.891305 -0.000009
SO2 Sulfur dioxide -42.059288 -42.059297 0.000009
NF2+ Difluoroamino cation -253.941293 -253.941284 -0.000009
C2Cl2 dichloroacetylene -996.499042 -996.499033 -0.000009
C5H6S Thiophene, 3-methyl- -592.339576 -592.339567 -0.000009
O2 Oxygen diatomic -31.840488 -31.840479 -0.000009
O2 Oxygen diatomic -31.840488 -31.840479 -0.000009
N2F2 Dinitrogen difluoride, (E)- -309.144093 -309.144084 -0.000009
C3H7N Cyclopropylamine -173.317474 -173.317465 -0.000009
CHF2CHF2 1,1,2,2-tetrafluoroethane -476.842905 -476.842914 0.000009
C5H12S 1-Propanethiol, 2,2-dimethyl- -596.068470 -596.068461 -0.000009
C6H10 1,3-Hexadiene, (E)- -234.624868 -234.624859 -0.000009
CH2SHCH2SH 1,2-Ethanedithiol -876.302585 -876.302594 0.000009
SiH3F monofluorosilane -391.266013 -391.266021 0.000009
MgCl2 Magnesium dichloride -1120.630674 -1120.630683 0.000009
CH2C(CH3)CH3 1-Propene, 2-methyl- -157.289997 -157.290006 0.000009
OClO Chlorine dioxide -610.548226 -610.548234 0.000009
O2 Oxygen diatomic -31.837434 -31.837425 -0.000009
O2 Oxygen diatomic -31.837434 -31.837425 -0.000009
CH3CH2CH2CH3 Butane -158.520218 -158.520209 -0.000009
SiH3Cl chlorosilane -751.605387 -751.605396 0.000009
C2H5NH+ Protonated Aziridine -134.286768 -134.286759 -0.000009
SO2Cl2 Sulfuryl chloride -1469.157293 -1469.157302 0.000009
CF3CH2Cl 2,2,2-Trifluoroethyl chloride -837.342654 -837.342645 -0.000009
OClO Chlorine dioxide -610.548226 -610.548234 0.000009
CH2O2 Dioxirane -189.692859 -189.692868 0.000009
C5H11 2-Methylbut-2-yl radical -197.187182 -197.187190 0.000009
SSO Disulfur monoxide -871.555513 -871.555504 -0.000009
HCOO formate neutral radical -189.155628 -189.155620 -0.000009
HCOO formate neutral radical -189.159550 -189.159541 -0.000009
HSO4- bisulfate anion -699.894669 -699.894678 0.000009
C5H9N Pentanenitrile -250.793398 -250.793389 -0.000009
ClONO chlorine nitrite -665.365400 -665.365391 -0.000009
CH2CCl2 Ethene, 1,1-dichloro- -997.885472 -997.885480 0.000009
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- -556.739722 -556.739731 0.000009
MgCl magnesium monochloride -660.389198 -660.389207 0.000009
Si Silicon atom -289.396342 -289.396333 -0.000009
HClO3 Chloric Acid -686.177421 -686.177429 0.000009
C2H3Br vinyl bromide -2652.252238 -2652.252247 0.000009
CH2Cl2 Methylene chloride -959.792080 -959.792071 -0.000009
AlCl- aluminum monochloride anion -702.760609 -702.760600 -0.000009
HSe+ selenium monohydride cation -2401.764056 -2401.764047 -0.000009
LiBr- lithium bromide cation -2581.866275 -2581.866284 0.000009
C5H8 1,2-Butadiene, 3-methyl- -195.294206 -195.294215 0.000009
BF3 Borane, trifluoro- -324.725500 -324.725491 -0.000009
N2F2 (Z)-Difluorodiazene -309.146916 -309.146924 0.000009
BrONO Bromine nitrite -2776.752586 -2776.752594 0.000009
HSe+ selenium monohydride cation -2401.764056 -2401.764047 -0.000009
P Phosphorus atom -341.276429 -341.276438 0.000009
NS Mononitrogen monosulfide -452.880857 -452.880849 -0.000009
Li3N trilithium nitride -77.315118 -77.315110 -0.000009
C(CN)4 tetracyanomethane -409.530171 -409.530180 0.000009
Si2H6 disilane -582.647756 -582.647764 0.000009
H2POH Phosphinous acid -418.388799 -418.388807 0.000009
C4H6OS Dihydro-3-(2H)-thiophenone -629.571524 -629.571516 -0.000009
MgCO3 Magnesium Carbonate -463.884935 -463.884943 0.000009
MgCO3 Magnesium Carbonate -463.884935 -463.884943 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
N2F2 Dinitrogen difluoride, (E)- -309.135966 -309.135957 -0.000009
C3H10N2 1,2-Diaminopropane -229.935511 -229.935520 0.000009
C(CH3)3 Tert-butyl radical -157.798326 -157.798317 -0.000009
C3H3N3O3 cyanuric acid -506.328349 -506.328358 0.000009
BF- Boron monofluoride anion -124.701179 -124.701171 -0.000009
C5H12O Propane, 2-methoxy-2-methyl- -273.084672 -273.084681 0.000008
Cl2 Chlorine diatomic -29.812399 -29.812407 0.000008
C4H8O2 1,3-Dioxane -307.789650 -307.789642 -0.000008
Cl2 Chlorine diatomic -29.812399 -29.812407 0.000008
TiO2 Titanium dioxide -1000.011286 -1000.011278 -0.000008
C3H3NO Oxazole -244.699967 -244.699976 0.000008
C2H5N Aziridine -133.974950 -133.974942 -0.000008
C6H10 2,4-Hexadiene, (Z,Z)- -234.627156 -234.627165 0.000008
CH3OCH2CN Methoxyacetonitrile -247.360982 -247.360974 -0.000008
BCl- boron monochloride anion -484.955636 -484.955644 0.000008
SiO+ silicon monoxide cation -364.301856 -364.301847 -0.000008
C4H8O2 1,3-Dioxolane, 2-methyl- -307.792645 -307.792653 0.000008
F2+ flourine diatomic cation -198.934536 -198.934544 0.000008
CH3CH2SH ethanethiol -475.621491 -475.621482 -0.000008
Cl2 Chlorine diatomic -29.813209 -29.813217 0.000008
Cl2 Chlorine diatomic -29.813209 -29.813217 0.000008
SO3- Sulfur trioxide anion -623.774691 -623.774699 0.000008
NO2- Nitrogen dioxide anion -205.242094 -205.242086 -0.000008
Ar2 Argon dimer -1055.084533 -1055.084541 0.000008
BF3 Borane, trifluoro- -324.726817 -324.726809 -0.000008
C4F4 tetrafluorcyclobutadiene -551.581494 -551.581502 0.000008
SiH3Cl chlorosilane -751.606540 -751.606549 0.000008
C4H5N Cyclopropanecarbonitrile -210.154064 -210.154072 0.000008
H2SO3 Sulfurous acid -625.011090 -625.011099 0.000008
C5H10O 3-Pentanone -271.785165 -271.785157 -0.000008
C4H3ClO Furan,3-chloro -689.717375 -689.717383 0.000008
OClO Chlorine dioxide -610.540480 -610.540489 0.000008
OClO Chlorine dioxide -610.540480 -610.540489 0.000008
C4H5N Cyclopropanecarbonitrile -210.215832 -210.215841 0.000008
SO2 Sulfur dioxide -548.587479 -548.587488 0.000008
BF Boron monofluoride -26.922559 -26.922550 -0.000008
C6H10 Cyclopentene, 3-methyl- -234.642186 -234.642177 -0.000008
NaF sodium fluoride -262.157453 -262.157461 0.000008
NaF sodium fluoride -262.157453 -262.157461 0.000008
Cl3PO Phosphoryl chloride -1797.233524 -1797.233515 -0.000008
NS Mononitrogen monosulfide -452.880857 -452.880849 -0.000008
Si Silicon atom -289.394491 -289.394483 -0.000008
Si Silicon atom -289.394491 -289.394483 -0.000008
C5H8 1,2-Pentadiene -195.365817 -195.365808 -0.000008
C6H5CH2CH3 Ethylbenzene -310.994513 -310.994521 0.000008
C4H10O 2-Butanol, (.+/-.)- -233.770366 -233.770374 0.000008
Na2CO3 Sodium Carbonate -588.501011 -588.501019 0.000008
Si2+ silcon dimer cation -578.604558 -578.604566 0.000008
HCS- Thioformyl anion -436.890975 -436.890967 -0.000008
BeF Beryllium monofluoride -114.664159 -114.664151 -0.000008
N2F2 (Z)-Difluorodiazene -309.139602 -309.139611 0.000008
Sc+ Scandium cation -760.392311 -760.392303 -0.000008
BeF Beryllium monofluoride -114.664159 -114.664151 -0.000008
PCl3 Phosphorus trichloride -1721.999089 -1721.999097 0.000008
CH2O2 Dioxirane -189.697504 -189.697513 0.000008
SO2- Sulfur dioxide anion -548.616885 -548.616893 0.000008
BCl3 Borane, trichloro- -1405.685241 -1405.685233 -0.000008
D2S Hydrogen sulfide-d2 -399.385441 -399.385433 -0.000008
SiCl- silicon monochloride anion -749.701019 -749.701011 -0.000008
CH4 Methane -40.301602 -40.301593 -0.000008
CH4 Methane -40.301602 -40.301593 -0.000008
CH4 Methane -40.301602 -40.301593 -0.000008
CH4 Methane -40.301602 -40.301593 -0.000008
CF3OF Trifluoromethylhypofluorite -512.596470 -512.596462 -0.000008
CF3OF Trifluoromethylhypofluorite -512.596470 -512.596462 -0.000008
C3H6O3 1,3,5-Trioxane -343.565379 -343.565388 0.000008
C5H6 Cyclopropylacetylene -194.036507 -194.036515 0.000008
MgCO3 Magnesium Carbonate -464.021470 -464.021478 0.000008
NaCl Sodium Chloride -622.599665 -622.599657 -0.000008
H2NO3+ Nitric Acid, Protonated -281.272720 -281.272712 -0.000008
C4H8O2 1,3-Dioxane -307.666280 -307.666272 -0.000008
Si Silicon atom -289.394483 -289.394491 0.000008
HSe+ selenium monohydride cation -2401.791161 -2401.791169 0.000008
HSe+ selenium monohydride cation -2401.791161 -2401.791169 0.000008
NH2CSNH2 Thiourea -548.325021 -548.325029 0.000008
C6H6 2,4-Hexadiyne -232.228736 -232.228728 -0.000008
C5H8 2,3-Pentadiene -195.293864 -195.293872 0.000008
C4H6O2 2-Propenoic acid, methyl ester -306.467760 -306.467752 -0.000008
BrCN Cyanogen bromide -2667.081539 -2667.081547 0.000008
SiH2Cl2 dichlorosilane -1211.245783 -1211.245775 -0.000008
SiH2Cl2 dichlorosilane -1211.245783 -1211.245775 -0.000008
C4H3ClO Furan,3-chloro -689.735682 -689.735690 0.000008
CH3CHClCH3 Propane, 2-chloro- -578.778448 -578.778440 -0.000008
Si Silicon atom -289.394483 -289.394491 0.000008
C5H6N+ Pyridinium -248.745465 -248.745457 -0.000008
C5H6N+ Pyridinium -248.736529 -248.736521 -0.000008
C5H12O Propane, 2-methoxy-2-methyl- -272.974778 -272.974769 -0.000008
NaH+ sodium hydride cation -162.585316 -162.585324 0.000008
NaH+ sodium hydride cation -162.585316 -162.585324 0.000008
NaH+ sodium hydride cation -162.585316 -162.585324 0.000008
NaH+ sodium hydride cation -162.585316 -162.585324 0.000008
C4H12N2 1,2-Butanediamine -269.261843 -269.261851 0.000008
Br2 Bromine diatomic -5148.453894 -5148.453902 0.000008
CF3CH2Cl 2,2,2-Trifluoroethyl chloride -837.139760 -837.139752 -0.000008
S2+ sulfur dimer cation -796.087399 -796.087407 0.000008
SO2- Sulfur dioxide anion -548.765441 -548.765449 0.000008
NH2COOC2H5 Urethane -323.886052 -323.886060 0.000008
Li2S dilithium sulfide -413.335469 -413.335477 0.000008
C4H5NO 3-Methylisoxazole -285.466225 -285.466217 -0.000008
C5H10 2-Pentene, (E)- -196.617625 -196.617633 0.000008
CCl2+ dichloromethylene cation -958.144329 -958.144321 -0.000008
C5H8 Cyclopentene -195.401185 -195.401177 -0.000008
Li2S dilithium sulfide -413.335469 -413.335477 0.000008
CH2CHCH2CH3 1-Butene -157.285738 -157.285746 0.000008
Na2Cl2 Disodium dichloride -1245.198536 -1245.198544 0.000008
CHOCH(CH3)CH3 Propanal, 2-methyl- -232.552696 -232.552704 0.000008
HNS- HNS- -453.502538 -453.502546 0.000008
HNO3 Nitric acid -280.878552 -280.878560 0.000008
C5H12O 1-Butanol, 2-methyl- -272.974127 -272.974119 -0.000008
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -635.478087 -635.478095 0.000008
C2H5N Aziridine -133.977817 -133.977809 -0.000008
H2S Hydrogen sulfide -399.409765 -399.409757 -0.000008
H2S Hydrogen sulfide -399.409765 -399.409757 -0.000008
C6H5NH2 aniline -287.601761 -287.601753 -0.000008
H2SO4 Sulfuric acid -700.203055 -700.203062 0.000008
CH3CHS Thioacetaldehyde -476.788080 -476.788088 0.000008
H2SO3 Sulfurous acid -625.000082 -625.000090 0.000008
HCOOHH2O Formic acid water dimer -266.326138 -266.326130 -0.000008
C4H10O 1-Butanol -233.672352 -233.672344 -0.000008
CCl2- dichloromethylene anion -958.545251 -958.545259 0.000008
H2SO3 Sulfurous acid -625.174342 -625.174350 0.000008
CH2ClCHCl2 1,1,2-trichloroethane -1458.604519 -1458.604527 0.000008
CHCCH2CH3 1-Butyne -156.028076 -156.028068 -0.000008
C6H5- phenyl anion -231.596402 -231.596394 -0.000008
H2CO3 Carbonic acid -264.993881 -264.993888 0.000008
C2H5NH+ Protonated Aziridine -134.311063 -134.311055 -0.000008
NeH neon hydrogen -129.453302 -129.453310 0.000008
H2SO4 Sulfuric acid -700.233223 -700.233231 0.000008
CH3OH- Methyl alcohol anion -115.680131 -115.680139 0.000008
C6H5O phenoxy radical -306.827642 -306.827634 -0.000008
C6H5- phenyl anion -231.625671 -231.625663 -0.000008
CH2CHOCHCH2 Vinyl ether -231.196291 -231.196283 -0.000008
CHFCl2 fluorodichloromethane -1059.061242 -1059.061234 -0.000008
SiH3CCl3 (trichloromethyl)silane -1710.065829 -1710.065821 -0.000008
CHClCHCl Ethene, 1,2-dichloro-, (E)- -997.885804 -997.885812 0.000008
F3NO Nitrogen trifluoride oxide -429.440665 -429.440673 0.000008
NS- nitrogen sulfide anion -452.947627 -452.947635 0.000008
CH2CHCONH2 Acrylamide -247.395853 -247.395845 -0.000008
SiF2+ Silicon difluoride cation -488.987810 -488.987818 0.000008
PH2- Phosphino anion -342.587876 -342.587883 0.000008
SO2Cl2 Sulfuryl chloride -1469.152252 -1469.152260 0.000008
C4H8O2 1,3-Dioxolane, 2-methyl- -307.668604 -307.668596 -0.000008
CHF3 Methane, trifluoro- -338.373933 -338.373925 -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
CH2ClCHCl2 1,1,2-trichloroethane -1458.748709 -1458.748717 0.000008
C5H8 Cyclopentene -195.399620 -195.399612 -0.000008
H2OCH3OCH3 water dimethylether dimer -231.484980 -231.484972 -0.000008
CH2ClCH2CH3 Propane, 1-chloro- -578.740156 -578.740164 0.000008
SiF2 Silicon difluoride -489.388952 -489.388945 -0.000008
C5H7 cyclopentenyl radical -194.681033 -194.681041 0.000008
CHClCHCl Ethene, 1,2-dichloro-, (Z)- -997.778564 -997.778571 0.000008
C2H5N Aziridine -133.919400 -133.919392 -0.000008
C3H6 Cyclopropane -117.942683 -117.942676 -0.000008
CHF3 Methane, trifluoro- -338.381379 -338.381371 -0.000008
ClONO2 Chlorine nitrate -740.570543 -740.570551 0.000008
CS- carbon monosulfide anion -436.195940 -436.195932 -0.000008
NO Nitric oxide -25.749155 -25.749147 -0.000008
NO Nitric oxide -25.749155 -25.749147 -0.000008
CH3SSSCH3 dimethyl trisulfide -1274.554254 -1274.554246 -0.000008
ScH3 Scandium trihydride -762.428392 -762.428384 -0.000008
O2 Oxygen diatomic -150.382047 -150.382040 -0.000008
CF3CN Acetonitrile, trifluoro- -430.628344 -430.628337 -0.000008
PS phosphorus sulfide -739.519374 -739.519382 0.000008
PS phosphorus sulfide -739.519374 -739.519382 0.000008
H2SO3 Sulfurous acid -625.030361 -625.030369 0.000008
NO Nitric oxide -25.752862 -25.752855 -0.000008
CHCCH2CH3 1-Butyne -156.032679 -156.032671 -0.000008
C4H6S Thiophene, 2,3-dihydro- -554.298133 -554.298141 0.000008
CH2CHCH3 Propene -117.956908 -117.956900 -0.000008
CH3OCH3 Dimethyl ether -155.041313 -155.041320 0.000008
CH3CH2NH2 Ethylamine -135.170732 -135.170725 -0.000008
C4H3ClO Furan,3-chloro -689.627608 -689.627616 0.000008
NH2CH2CH2CH3 1-Propanamine -174.562699 -174.562692 -0.000008
BF3 Borane, trifluoro- -75.550162 -75.550154 -0.000008
CHFCl2 fluorodichloromethane -1059.065792 -1059.065785 -0.000008
C6H10 Bicyclo[3.1.0]hexane -234.630800 -234.630792 -0.000008
C6H10 1-Butyne, 3,3-dimethyl- -234.595091 -234.595099 0.000008
ClNO2 Nitryl chloride -665.384701 -665.384709 0.000008
CHF2CHF2 1,1,2,2-tetrafluoroethane -476.792008 -476.792016 0.000008
CH2CHOH ethenol -153.877852 -153.877844 -0.000008
NaCl Sodium Chloride -622.593474 -622.593466 -0.000008
NaCl Sodium Chloride -622.593474 -622.593466 -0.000008
P2- phosphorus dimer anion -682.704002 -682.703994 -0.000008
C3H7ONO Propyl nitrite -323.769604 -323.769612 0.000008
AlCl- aluminum monochloride anion -702.685662 -702.685655 -0.000008
H2S Hydrogen sulfide -399.415121 -399.415113 -0.000008
C4H7NO Oxazole, 4,5-dihydro-2-methyl- -286.715850 -286.715842 -0.000008
F3NO Nitrogen trifluoride oxide -429.430236 -429.430244 0.000008
CH2CHOH ethenol -153.881377 -153.881369 -0.000008
NH2CONH2 Urea -225.360602 -225.360594 -0.000008
AlS- aluminum monosulfide anion -640.775059 -640.775067 0.000008
CH3CHOHCH3 Isopropyl alcohol -194.443219 -194.443211 -0.000008
C5H5N Pyridine -248.376256 -248.376248 -0.000008
CH3CHF2 Ethane, 1,1-difluoro- -278.428539 -278.428546 0.000008
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- -1659.149343 -1659.149350 0.000008
H2S Hydrogen sulfide -399.415121 -399.415113 -0.000008
C2H5NH+ Protonated Aziridine -134.296228 -134.296220 -0.000008
Br2- bromine diatomic anion -5148.559418 -5148.559426 0.000008
PS phosphorus sulfide -739.517312 -739.517319 0.000008
PS phosphorus sulfide -739.517312 -739.517319 0.000008
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.096573 -999.096566 -0.000008
PS phosphorus sulfide -739.517312 -739.517319 0.000008
PS phosphorus sulfide -739.517312 -739.517319 0.000008
CH2ClCH2CH3 Propane, 1-chloro- -578.739913 -578.739921 0.000008
C3H6O Propylene oxide -193.188400 -193.188392 -0.000008
HSO4- bisulfate anion -699.701206 -699.701199 -0.000008
C3H4N2 1H-Imidazole -226.235378 -226.235386 0.000008
ClONO chlorine nitrite -665.360651 -665.360643 -0.000008
Se Selenium atom -2401.497505 -2401.497497 -0.000008
CH2CH(CH3)2 Isobutyl radical -157.849752 -157.849759 0.000007
CH3CH2Cl Ethyl chloride -539.426266 -539.426259 -0.000007
CHClCHCl Ethene, 1,2-dichloro-, (Z)- -997.787356 -997.787364 0.000007
Si2H6 disilane -582.647023 -582.647031 0.000007
C6H5Cl chlorobenzene -691.844974 -691.844967 -0.000007
BF3 Borane, trifluoro- -75.556241 -75.556233 -0.000007
CHOCH2OH hydroxy acetaldehyde -229.142291 -229.142283 -0.000007
SiN- silicon mononitride anion -344.208546 -344.208539 -0.000007
C4H8OS s-Ethyl thioacetate -630.660602 -630.660594 -0.000007
TiO2 Titanium dioxide -1000.001625 -1000.001618 -0.000007
OClO Chlorine dioxide -610.430662 -610.430669 0.000007
OClO Chlorine dioxide -610.430662 -610.430669 0.000007
NS Mononitrogen monosulfide -452.898518 -452.898510 -0.000007
NS Mononitrogen monosulfide -452.898518 -452.898510 -0.000007
C5H10 2-Butene, 2-methyl- -196.619518 -196.619510 -0.000007
AlCl Aluminum monochloride -702.722459 -702.722467 0.000007
CH2CHCHCH2 1,3-Butadiene -156.057503 -156.057496 -0.000007
NS- nitrogen sulfide anion -452.947628 -452.947635 0.000007
O Oxygen atom -74.660286 -74.660294 0.000007
O Oxygen atom -74.660286 -74.660294 0.000007
HO2CCHNH2CH2OH Serine -398.983465 -398.983473 0.000007
C6H10 1-Butyne, 3,3-dimethyl- -234.688976 -234.688983 0.000007
C5H8 2,3-Pentadiene -195.371470 -195.371478 0.000007
BF3 Borane, trifluoro- -324.701297 -324.701289 -0.000007
O Oxygen atom -75.067597 -75.067605 0.000007
SSO Disulfur monoxide -871.674710 -871.674718 0.000007
BHF2 Difluoroborane -225.245303 -225.245310 0.000007
CH3CH(NH2)CH3 2-Propanamine -174.566119 -174.566126 0.000007
CH2C(CH3)CH3 1-Propene, 2-methyl- -157.291339 -157.291346 0.000007
C6H12 2,3-dimethylbut-1-ene -235.852475 -235.852467 -0.000007
HCCl Chloromethylene -498.814130 -498.814122 -0.000007
CHCCH2CH3 1-Butyne -155.984407 -155.984400 -0.000007
Li2S dilithium sulfide -413.355251 -413.355258 0.000007
HCCl Chloromethylene -498.812866 -498.812859 -0.000007
LiF lithium fluoride -107.475385 -107.475378 -0.000007
SiF3+ Silicon trifluoride cation -588.968498 -588.968505 0.000007
SiH2Cl2 dichlorosilane -1211.237348 -1211.237340 -0.000007
SiH2Cl2 dichlorosilane -1211.237348 -1211.237340 -0.000007
C5H8O Methyl cyclopropyl ketone -270.556419 -270.556426 0.000007
CH2CH(CH3)2 Isobutyl radical -157.785653 -157.785645 -0.000007
CH2CHCH2CH2CH3 1-pentene -196.613221 -196.613214 -0.000007
C6H12 2,3-dimethylbut-1-ene -235.857653 -235.857645 -0.000007
C5H8 1,3-Pentadiene, (Z)- -195.387110 -195.387103 -0.000007
C5H10 2-Butene, 2-methyl- -196.620997 -196.620989 -0.000007
LiF lithium fluoride -107.475385 -107.475378 -0.000007
C2H5NH+ Protonated Aziridine -134.336334 -134.336327 -0.000007
Al Aluminum atom -242.393277 -242.393284 0.000007
Sc Scandium atom -760.629500 -760.629492 -0.000007
C3H5Cl 1-Propene, 3-chloro- -577.501371 -577.501363 -0.000007
CH2ClCH2Cl Ethane, 1,2-dichloro- -994.187563 -994.187556 -0.000007
CH3OCl methyl hypochlorite -575.348124 -575.348131 0.000007
Sc Scandium atom -760.579174 -760.579182 0.000007
Sc Scandium atom -760.579174 -760.579182 0.000007
C5H8 1,3-Pentadiene, (Z)- -195.387110 -195.387103 -0.000007
CH2CHSCHCH2 Divinyl sulfide -554.270577 -554.270585 0.000007
PS- phosphorus monosulfide anion -739.619987 -739.619994 0.000007
C6H5COOH benzoic acid -420.988750 -420.988758 0.000007
Mg2 Magnesium diatomic -400.196010 -400.196018 0.000007
O3 Ozone -225.505551 -225.505543 -0.000007
Mg2 Magnesium diatomic -400.196010 -400.196018 0.000007
C5H10O 3-Pentanone -271.892831 -271.892824 -0.000007
C6H5- phenyl anion -231.570582 -231.570575 -0.000007
NS Mononitrogen monosulfide -452.901452 -452.901445 -0.000007
C5H5- cylopentadienyl anion -193.601152 -193.601159 0.000007
S Sulfur atom -398.132075 -398.132082 0.000007
S Sulfur atom -398.132075 -398.132082 0.000007
HBr hydrogen bromide -2574.836863 -2574.836870 0.000007
C5H10O 2-methylbutyraldehyde -271.877010 -271.877003 -0.000007
C4H6S Thiophene, 2,3-dihydro- -554.300241 -554.300249 0.000007
CH3OCH3 Dimethyl ether -155.025044 -155.025051 0.000007
LiBH4 Lithium borohydride -34.814056 -34.814064 0.000007
N2O3 Dinitrogen trioxide -334.993809 -334.993816 0.000007
Na2CO3 Sodium Carbonate -588.646159 -588.646152 -0.000007
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- -556.741719 -556.741726 0.000007
LiBH4 Lithium borohydride -34.798063 -34.798070 0.000007
CH3OC2H5 Ethane, methoxy- -194.391700 -194.391693 -0.000007
CH2CHSCHCH2 Divinyl sulfide -554.272685 -554.272693 0.000007
Na2 Sodium diatomic -324.620837 -324.620844 0.000007
BF3 Borane, trifluoro- -324.696368 -324.696361 -0.000007
LiBH4 Lithium borohydride -34.814585 -34.814592 0.000007
SiF3+ Silicon trifluoride cation -588.974588 -588.974595 0.000007
NS Mononitrogen monosulfide -452.891576 -452.891569 -0.000007
CH3SOCH3 Dimethyl sulfoxide -553.208403 -553.208410 0.000007
N(CH3)2CONH2 Urea, N,N-dimethyl- -303.877376 -303.877383 0.000007
C2H5NH+ Protonated Aziridine -134.294720 -134.294712 -0.000007
AlF3 Aluminum trifluoride -542.072943 -542.072950 0.000007
AlF3 Aluminum trifluoride -542.072943 -542.072950 0.000007
BF3 Borane, trifluoro- -324.702290 -324.702282 -0.000007
Cl2 Chlorine diatomic -920.362163 -920.362170 0.000007
Cl2 Chlorine diatomic -920.362163 -920.362170 0.000007
MgOH magnesium hydroxide -275.977066 -275.977073 0.000007
CH3CHClCH3 Propane, 2-chloro- -578.765519 -578.765512 -0.000007
MgOH magnesium hydroxide -275.977066 -275.977073 0.000007
O Oxygen atom -75.077155 -75.077162 0.000007
LiF lithium fluoride -107.471930 -107.471923 -0.000007
C4H6S Thiophene, 2,3-dihydro- -554.220010 -554.220018 0.000007
C5H6N+ Pyridinium -248.743834 -248.743827 -0.000007
Na2 Sodium diatomic -324.620672 -324.620679 0.000007
TiH Titanium monohydride -849.889440 -849.889447 0.000007
C3H6 Cyclopropane -117.873117 -117.873110 -0.000007
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.125616 -999.125623 0.000007
Sc Scandium atom -760.584373 -760.584380 0.000007
Li2S dilithium sulfide -413.346885 -413.346892 0.000007
CH3OC2H5 Ethane, methoxy- -194.349474 -194.349467 -0.000007
Li2S dilithium sulfide -413.346885 -413.346892 0.000007
C3H6 Cyclopropane -116.475993 -116.475986 -0.000007
C3H6 Cyclopropane -117.873207 -117.873200 -0.000007
C5H10O 2-methylbutyraldehyde -271.880164 -271.880157 -0.000007
C4H6S Thiophene, 2,3-dihydro- -554.204194 -554.204201 0.000007
C6H6 2,4-Hexadiyne -232.227052 -232.227045 -0.000007
SSO Disulfur monoxide -871.679343 -871.679350 0.000007
CHCCH2CH3 1-Butyne -156.031210 -156.031203 -0.000007
CF2 Difluoromethylene -237.606542 -237.606550 0.000007
C5H9N Pentanenitrile -250.696706 -250.696699 -0.000007
C3H8O2 1,3-Propanediol -269.678729 -269.678736 0.000007
CF3OH trifluoromethanol -413.491261 -413.491268 0.000007
SiF3 Silicon trifluoride radical -589.316802 -589.316795 -0.000007
CHCCH2CH3 1-Butyne -155.973871 -155.973864 -0.000007
NH2COOC2H5 Urethane -323.744806 -323.744813 0.000007
C5H10 2-Pentene, (E)- -196.539437 -196.539444 0.000007
N2O5 Dinitrogen pentoxide -485.529451 -485.529458 0.000007
BF3 Borane, trifluoro- -324.701296 -324.701289 -0.000007
C2H5NH+ Protonated Aziridine -134.335414 -134.335407 -0.000007
CF2- Difluoromethylene anion -237.813580 -237.813587 0.000007
C2H5NH+ Protonated Aziridine -134.331058 -134.331051 -0.000007
C4H3ClO Furan, 2-chloro -689.627733 -689.627726 -0.000007
C6H5COOH benzoic acid -420.983196 -420.983203 0.000007
C3H5 Allyl radical -117.275872 -117.275865 -0.000007
C5H8 1,2-Pentadiene -195.367456 -195.367449 -0.000007
C2H6O2S Dimethyl sulfone -628.559493 -628.559500 0.000007
SF Monosulfur monofluoride -497.964142 -497.964135 -0.000007
SF Monosulfur monofluoride -497.964142 -497.964135 -0.000007
LiF lithium fluoride -107.471930 -107.471923 -0.000007
CF- carbon monofluoride anion -137.693435 -137.693442 0.000007
LiBH4 Lithium borohydride -34.794101 -34.794108 0.000007
CH3OC2H5 Ethane, methoxy- -194.355089 -194.355082 -0.000007
Na2 Sodium diatomic -324.629389 -324.629396 0.000007
BF3 Borane, trifluoro- -75.466993 -75.466986 -0.000007
C6H10 2-Hexyne -234.606626 -234.606619 -0.000007
C4H6OS Dihydro-3-(2H)-thiophenone -629.567519 -629.567512 -0.000007
O2 Oxygen diatomic -31.799717 -31.799710 -0.000007
O2 Oxygen diatomic -31.799717 -31.799710 -0.000007
PPO PPO -757.919891 -757.919884 -0.000007
SiH3CCl3 (trichloromethyl)silane -1710.052416 -1710.052409 -0.000007
C3H3NO Isoxazole -246.050384 -246.050391 0.000007
C3H5 Allyl radical -117.275872 -117.275865 -0.000007
C5H8 1,4-Pentadiene -195.297767 -195.297760 -0.000007
H2OHCOOH Water formic acid dimer 1 -266.214799 -266.214792 -0.000007
CH2CHCH3 Propene -20.543715 -20.543708 -0.000007
Cl Chlorine atom -460.129431 -460.129424 -0.000007
C5H6 1-Buten-3-yne, 2-methyl- -194.132458 -194.132451 -0.000007
Ga2H6 digallane -3834.486698 -3834.486705 0.000007
CH3NNCH3 (E)-1,2-Dimethyldiazene -189.347778 -189.347785 0.000007
SCN- thiocyanide anion -491.099519 -491.099512 -0.000007
F2 Fluorine diatomic -48.192096 -48.192103 0.000007
F2 Fluorine diatomic -48.192096 -48.192103 0.000007
LiCN lithium cyanide -99.812881 -99.812888 0.000007
HClO4 perchloric acid -761.520209 -761.520216 0.000007
ONONO Nitrosyl nitrite -335.112572 -335.112579 0.000007
CH3OC2H5 Ethane, methoxy- -194.344306 -194.344299 -0.000007
HClO3 Chloric Acid -686.177435 -686.177428 -0.000007
Se2 Selenium diatomic -4798.726842 -4798.726849 0.000007
LiO lithium oxide -82.691592 -82.691599 0.000007
C2H5NH+ Protonated Aziridine -134.282777 -134.282770 -0.000007
CH2CClCH2CH3 1-Butene, 2-chloro- -616.921268 -616.921275 0.000007
CH2Cl2 Methylene chloride -959.702987 -959.702980 -0.000007
BF3 Borane, trifluoro- -75.461641 -75.461634 -0.000007
C3H8O2 1,3-Propanediol -269.685534 -269.685541 0.000007
C6H8 1,3-Cyclohexadiene -233.507328 -233.507335 0.000007
BeF+ Beryllium monofluoride cation -114.326461 -114.326454 -0.000007
Al Aluminum atom -242.393312 -242.393318 0.000007
CH2CHOH ethenol -153.827537 -153.827530 -0.000007
CH3CH2NH2 Ethylamine -135.192570 -135.192563 -0.000007
NS Mononitrogen monosulfide -452.891576 -452.891569 -0.000007
LiBH4 Lithium borohydride -34.793639 -34.793646 0.000007
CH2CHCH2CH2CH3 1-pentene -196.613963 -196.613956 -0.000007
AlF3 Aluminum trifluoride -542.374714 -542.374721 0.000007
FOOF Perfluoroperoxide -349.803787 -349.803794 0.000007
CH2C(CH3)CH3 1-Propene, 2-methyl- -157.245448 -157.245455 0.000007
Na2 Sodium diatomic -324.625633 -324.625627 -0.000007
S Sulfur atom -398.132075 -398.132082 0.000007
S Sulfur atom -398.132075 -398.132082 0.000007
C5H5NO 2-Pyridinol -323.645549 -323.645543 -0.000007
LiO+ lithium oxide cation -82.265149 -82.265142 -0.000007
CH4 Methane -40.514478 -40.514471 -0.000007
CH4 Methane -40.514478 -40.514471 -0.000007
NCl3 nitrogen trichloride -1435.208921 -1435.208914 -0.000007
HCCCl Chloroacetylene -536.988365 -536.988358 -0.000007
CH4 Methane -40.514465 -40.514458 -0.000007
CH4 Methane -40.514465 -40.514458 -0.000007
PCl3 Phosphorus trichloride -1722.161688 -1722.161681 -0.000007
BF3+ boron trifluoride cation -324.143382 -324.143375 -0.000007
Si2- silcon dimer anion -578.921118 -578.921111 -0.000007
Na2 Sodium diatomic -324.625157 -324.625150 -0.000007
Li2S dilithium sulfide -413.312636 -413.312643 0.000007
C3H6 Cyclopropane -117.940767 -117.940760 -0.000007
C6H5F Fluorobenzene -331.482299 -331.482292 -0.000007
PS phosphorus sulfide -739.588617 -739.588623 0.000007
H2POH Phosphinous acid -418.407271 -418.407278 0.000007
Li2S dilithium sulfide -413.308767 -413.308773 0.000007
Li2S dilithium sulfide -413.308767 -413.308773 0.000007
NO Nitric oxide -25.797915 -25.797909 -0.000007
NO Nitric oxide -25.797915 -25.797909 -0.000007
PS phosphorus sulfide -739.588617 -739.588623 0.000007
F2 Fluorine diatomic -199.606523 -199.606529 0.000007
F2 Fluorine diatomic -199.606523 -199.606529 0.000007
HCCCl Chloroacetylene -536.970850 -536.970843 -0.000007
CHOCH2OH hydroxy acetaldehyde -229.136446 -229.136439 -0.000007
C3H6 Cyclopropane -117.943478 -117.943471 -0.000007
C6H15N triethylamine -292.421315 -292.421322 0.000007
Cl2O Dichlorine monoxide -995.478364 -995.478358 -0.000007
C2H5N Aziridine -133.935591 -133.935585 -0.000007
C4H3ClO Furan,3-chloro -686.140012 -686.140006 -0.000007
CH3CH2OH Ethanol -155.057983 -155.057976 -0.000007
CH3CHOHCH3 Isopropyl alcohol -194.353317 -194.353310 -0.000007
O2 Oxygen diatomic -150.395696 -150.395689 -0.000007
CH3OH- Methyl alcohol anion -115.760560 -115.760554 -0.000007
NBr3 Nitrogen Tribromide -7777.130390 -7777.130383 -0.000007
H2SO4 Sulfuric acid -700.410388 -700.410395 0.000007
SiF2+ Silicon difluoride cation -488.991675 -488.991681 0.000007
H2OHCOOH Water formic acid dimer 1 -266.172059 -266.172052 -0.000007
O2 Oxygen diatomic -150.394138 -150.394131 -0.000007
CH4 Methane -8.056341 -8.056334 -0.000007
CH4 Methane -8.056341 -8.056334 -0.000007
ClO4- perchlorate anion -760.798426 -760.798419 -0.000007
HFCO formyl fluoride -213.859656 -213.859649 -0.000007
Al(CH3)3 trimethyl aluminum -362.272405 -362.272412 0.000007
C3H6 Cyclopropane -117.939444 -117.939437 -0.000007
NH2CONH2 Urea -225.281297 -225.281303 0.000007
CSe- Carbon monoselenide anion -2437.374114 -2437.374108 -0.000007
O2 Oxygen diatomic -150.395696 -150.395689 -0.000007
C8H14 Bicyclo[2.2.2]octane -313.392699 -313.392692 -0.000007
MgF+ magnesium fluoride cation -299.707833 -299.707840 0.000007
MgF+ magnesium fluoride cation -299.707833 -299.707840 0.000007
C7H16 3-methylhexane -276.396804 -276.396810 0.000007
BF3 Borane, trifluoro- -324.701139 -324.701132 -0.000007
NH2CONH2 Urea -225.281297 -225.281303 0.000007
NH2CONH2 Urea -225.363937 -225.363930 -0.000007
NH2CONH2 Urea -225.363937 -225.363930 -0.000007
Li2S dilithium sulfide -413.313031 -413.313038 0.000007
C5H6S Thiophene, 3-methyl- -592.432396 -592.432389 -0.000007
Be- Beryllium atom anion -14.668942 -14.668936 -0.000007
CH3CH2SH ethanethiol -478.013771 -478.013764 -0.000007
HCOOHH2O Formic acid water dimer -266.188728 -266.188722 -0.000007
SiC- silicon monocarbide anion -327.441453 -327.441446 -0.000007
SiP+ Silicon monophosphide cation -630.496413 -630.496420 0.000007
CCl3 Trichloromethyl radical -1418.623477 -1418.623470 -0.000007
Cl2O Dichlorine monoxide -995.485514 -995.485508 -0.000007
NS+ nitrogen sulfide cation -452.526162 -452.526155 -0.000007
CHBrCl2 Methane, bromodichloro- -3533.407614 -3533.407620 0.000007
O2 Oxygen diatomic -31.797168 -31.797161 -0.000007
O2 Oxygen diatomic -31.797168 -31.797161 -0.000007
NO- nitric oxide anion -129.910028 -129.910022 -0.000007
HCCCl Chloroacetylene -536.987111 -536.987105 -0.000007
LiBr+ lithium bromide anion -2581.497015 -2581.497021 0.000007
SiP+ Silicon monophosphide cation -630.458997 -630.459003 0.000006
PH2+ Phosphino cation -342.176878 -342.176884 0.000006
SO Sulfur monoxide -473.408769 -473.408776 0.000006
O3 Ozone -225.499071 -225.499065 -0.000006
BrCl+ bromine chloride cation -3031.473536 -3031.473542 0.000006
CH3OC2H5 Ethane, methoxy- -194.423327 -194.423320 -0.000006
SiF3 Silicon trifluoride radical -589.308227 -589.308221 -0.000006
GeO2 Germanium dioxide -2225.371275 -2225.371269 -0.000006
Ca+ Calcium atom cation -677.311060 -677.311066 0.000006
NO Nitric oxide -25.802708 -25.802702 -0.000006
C3H6 Cyclopropane -117.920242 -117.920235 -0.000006
PS phosphorus sulfide -739.587426 -739.587432 0.000006
PS phosphorus sulfide -739.587426 -739.587432 0.000006
CH3OCH3 Dimethyl ether -155.093122 -155.093128 0.000006
NF3 Nitrogen trifluoride -354.232185 -354.232179 -0.000006
C5H10O 2-methylbutyraldehyde -271.804599 -271.804592 -0.000006
Al2 Aluminum diatomic -484.814639 -484.814645 0.000006
C6H5CH3 toluene -271.666929 -271.666923 -0.000006
C3H6O2 1,3-Dioxolane -268.454354 -268.454348 -0.000006
Ca- Calcium atom anion -677.528052 -677.528059 0.000006
AlF3 Aluminum trifluoride -542.376147 -542.376153 0.000006
Li2S dilithium sulfide -413.357179 -413.357185 0.000006
SiCl Clorosilylidyne -749.661192 -749.661186 -0.000006
CH3COC6H5 acetophenone -384.918899 -384.918893 -0.000006
Sc+ Scandium cation -760.340282 -760.340288 0.000006
Sc+ Scandium cation -760.340282 -760.340288 0.000006
C3H10N2 1,2-Diaminopropane -229.929651 -229.929657 0.000006
C2Cl4 Tetrachloroethylene -1917.133887 -1917.133880 -0.000006
C5H10O 2-methylbutyraldehyde -271.797012 -271.797006 -0.000006
SiCl4 Silane, tetrachloro- -2130.472833 -2130.472840 0.000006
C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- -1077.652120 -1077.652114 -0.000006
CH3CHCH2CH3 2-Butyl radical -157.855332 -157.855326 -0.000006
H2SO3 Sulfurous acid -625.090828 -625.090835 0.000006
NaH+ sodium hydride cation -162.597223 -162.597230 0.000006
NaBr+ sodium bromide cation -2736.300250 -2736.300257 0.000006
CuF2 Copper difluoride -1840.340625 -1840.340631 0.000006
CH3OC2H5 Ethane, methoxy- -194.368551 -194.368544 -0.000006
H2POH Phosphinous acid -418.407882 -418.407889 0.000006
AlCl3 Aluminum trichloride -1623.377562 -1623.377569 0.000006
Mg2 Magnesium diatomic -400.195888 -400.195894 0.000006
AlS+ aluminum monosulfide cation -640.264064 -640.264058 -0.000006
NaH+ sodium hydride cation -162.597223 -162.597230 0.000006
O2 Oxygen diatomic -150.380951 -150.380944 -0.000006
O2 Oxygen diatomic -150.380951 -150.380944 -0.000006
PS phosphorus sulfide -739.564141 -739.564147 0.000006
C5H6S Thiophene, 3-methyl- -592.429973 -592.429966 -0.000006
CH2CHCH2CH2CH3 1-pentene -196.534588 -196.534582 -0.000006
AsF5 Arsenic pentafluoride -2735.448886 -2735.448880 -0.000006
Sc+ Scandium cation -760.345683 -760.345689 0.000006
HSe Selenium monohydride -2399.931846 -2399.931852 0.000006
HSe Selenium monohydride -2399.931846 -2399.931852 0.000006
Ca Calcium atom -677.536235 -677.536242 0.000006
Ca Calcium atom -677.536235 -677.536242 0.000006
C6H12 2,3-dimethylbut-1-ene -235.869555 -235.869548 -0.000006
TiO Titanium monoxide -920.158418 -920.158412 -0.000006
Ca Calcium atom -677.537091 -677.537097 0.000006
Ca Calcium atom -677.537091 -677.537097 0.000006
NH2CONH2 Urea -225.362523 -225.362517 -0.000006
P Phosphorus atom -341.257778 -341.257772 -0.000006
F2SO Thionyl Fluoride -673.244695 -673.244689 -0.000006
BeCO3 Beryllium Carbonate -278.592969 -278.592963 -0.000006
CH3N5 5-Aminotetrazole -313.736986 -313.736979 -0.000006
CH2CHCH3 Propene -117.934704 -117.934697 -0.000006
SiF2+ Silicon difluoride cation -488.904360 -488.904366 0.000006
Ca Calcium atom -677.537161 -677.537167 0.000006
Ca Calcium atom -677.537161 -677.537167 0.000006
BrONO2 Bromine nitrate -2854.516463 -2854.516469 0.000006
BrONO2 Bromine nitrate -2854.516463 -2854.516469 0.000006
C3H6 Cyclopropane -117.929954 -117.929947 -0.000006
NS- nitrogen sulfide anion -452.908740 -452.908746 0.000006
O2 Oxygen diatomic -150.319228 -150.319222 -0.000006
CH4 Methane -8.051145 -8.051139 -0.000006
CH4 Methane -8.051145 -8.051139 -0.000006
C3H3NO Isoxazole -246.034708 -246.034715 0.000006
Li2S dilithium sulfide -413.353989 -413.353995 0.000006
C4H5N Cyclopropanecarbonitrile -210.137583 -210.137590 0.000006
CH4 Methane -8.066092 -8.066086 -0.000006
CH4 Methane -8.066092 -8.066086 -0.000006
SCN- thiocyanide anion -491.184579 -491.184573 -0.000006
C3H6 Cyclopropane -117.939166 -117.939159 -0.000006
VO Vanadium monoxide -1019.242841 -1019.242847 0.000006
AlCl3 Aluminum trichloride -1623.379613 -1623.379619 0.000006
ClNO Nitrosyl chloride -590.179725 -590.179719 -0.000006
S Sulfur atom -398.104999 -398.104993 -0.000006
S Sulfur atom -398.104999 -398.104993 -0.000006
LiCN lithium cyanide -100.418429 -100.418435 0.000006
CH3CH(SH)CH2CH3 2-Butanethiol -556.641959 -556.641953 -0.000006
C2HF3 Trifluoroethylene -376.273233 -376.273227 -0.000006
C3H6 Cyclopropane -20.529358 -20.529351 -0.000006
C6H10 1-Hexyne -234.594718 -234.594724 0.000006
NO3- nitrate anion -280.468136 -280.468142 0.000006
C6H5F Fluorobenzene -331.613094 -331.613100 0.000006
C5H5N Pyridine -248.373203 -248.373196 -0.000006
C9H12 n-propyl benzene -350.209628 -350.209622 -0.000006
CH3SSSCH3 dimethyl trisulfide -1274.404030 -1274.404023 -0.000006
BF Boron monofluoride -26.919556 -26.919550 -0.000006
C2H4CO3 Ethylene carbonate -342.521107 -342.521113 0.000006
CH2CHCH2CH2Cl 1-Butene, 4-chloro- -616.917433 -616.917439 0.000006
NO- nitric oxide anion -129.955235 -129.955229 -0.000006
Sc+ Scandium cation -760.376606 -760.376600 -0.000006
C5H12S Butane, 1-(methylthio)- -596.069410 -596.069416 0.000006
Li2S dilithium sulfide -413.353971 -413.353977 0.000006
Li2S dilithium sulfide -413.353971 -413.353977 0.000006
CH4 Methane -40.510649 -40.510643 -0.000006
CH4 Methane -40.510649 -40.510643 -0.000006
Sc Scandium atom -760.614657 -760.614651 -0.000006
TiH Titanium monohydride -849.869881 -849.869887 0.000006
C3H6 Cyclopropane -117.906030 -117.906024 -0.000006
C6H5- phenyl anion -231.672495 -231.672489 -0.000006
C2H6O2S Dimethyl sulfone -628.553486 -628.553492 0.000006
F2O Difluorine monoxide -274.649856 -274.649850 -0.000006
PH4+ phosphonium cation -343.446757 -343.446751 -0.000006
ClNO Nitrosyl chloride -590.176518 -590.176512 -0.000006
ZnO zinc monoxide -1854.225704 -1854.225698 -0.000006
C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- -1077.789013 -1077.789007 -0.000006
CO2- Carbon dioxide anion -188.531443 -188.531449 0.000006
O2 Oxygen diatomic -150.384618 -150.384612 -0.000006
BF3- Borane, trifluoro- anion -324.429033 -324.429039 0.000006
CH3CH(NH2)COOH Alanine -323.885045 -323.885039 -0.000006
NH2CH2CH2CH3 1-Propanamine -174.484593 -174.484587 -0.000006
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.123010 -999.123004 -0.000006
CH2CHCH3 Propene -20.514222 -20.514216 -0.000006
HCOOC2H5 Ethyl formate -268.493718 -268.493724 0.000006
C6H10 2,4-Hexadiene, (E,E)- -234.632026 -234.632032 0.000006
ONONO Nitrosyl nitrite -335.105004 -335.105010 0.000006
O2 Oxygen diatomic -150.384618 -150.384612 -0.000006
CH3CH2SH ethanethiol -478.023818 -478.023812 -0.000006
H2POH Phosphinous acid -418.428932 -418.428938 0.000006
MgO- magnesium oxide anion -275.346337 -275.346343 0.000006
SiP+ Silicon monophosphide cation -630.398746 -630.398752 0.000006
C4H3ClO Furan,3-chloro -689.617244 -689.617250 0.000006
CH3CH2SH ethanethiol -478.085968 -478.085962 -0.000006
C5H8O Methyl cyclopropyl ketone -270.577334 -270.577340 0.000006
C3H4O2 β–Propiolactone -267.171911 -267.171917 0.000006
CH2SHCH2SH 1,2-Ethanedithiol -876.305092 -876.305086 -0.000006
H2SeO4 Selenic acid -2701.339571 -2701.339565 -0.000006
CH3NNCH3 (E)-1,2-Dimethyldiazene -189.351792 -189.351798 0.000006
C4H7NO Ethoxyacetonitrile -286.591063 -286.591057 -0.000006
C6H12 (Z)-hex-3-ene -235.857086 -235.857080 -0.000006
NF nitrogen fluoride -154.502177 -154.502183 0.000006
NF nitrogen fluoride -154.502177 -154.502183 0.000006
S Sulfur atom -398.100687 -398.100681 -0.000006
S Sulfur atom -398.100687 -398.100681 -0.000006
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.125394 -999.125388 -0.000006
CH2F2 Methane, difluoro- -238.973195 -238.973201 0.000006
C3H6O 2-Propen-1-ol -193.135943 -193.135937 -0.000006
C5H7N (E)-3-Pentenenitrile -249.463131 -249.463137 0.000006
SiO- silicon monoxide anion -364.795040 -364.795034 -0.000006
C3F8 perfluoropropane -913.034713 -913.034707 -0.000006
AlCl Aluminum monochloride -702.726795 -702.726801 0.000006
TiO2 Titanium dioxide -999.920504 -999.920498 -0.000006
NH2CONHC2H5 Urea, ethyl- -303.884328 -303.884322 -0.000006
C4H10S2 1,4-Butanedithiol -954.822294 -954.822288 -0.000006
S Sulfur atom -398.104999 -398.104993 -0.000006
S Sulfur atom -398.104999 -398.104993 -0.000006
P2- phosphorus dimer anion -682.781512 -682.781506 -0.000006
P Phosphorus atom -341.285857 -341.285851 -0.000006
P Phosphorus atom -341.285857 -341.285851 -0.000006
O Oxygen atom -75.091857 -75.091863 0.000006
LiO+ lithium oxide cation -82.368623 -82.368617 -0.000006
VO Vanadium monoxide -1019.185596 -1019.185590 -0.000006
C3H10N2 1,2-Diaminopropane -229.827654 -229.827660 0.000006
IF Iodine monofluoride -35.570215 -35.570209 -0.000006
NaCN Sodium Cyanide -255.188234 -255.188240 0.000006
Li2S dilithium sulfide -413.353988 -413.353994 0.000006
CH2CHOCHCH2 Vinyl ether -231.196369 -231.196363 -0.000006
CH4 Methane -40.538244 -40.538238 -0.000006
SiS- silicon monosulfide anion -687.783044 -687.783050 0.000006
CH2ClCHCl2 1,1,2-trichloroethane -1458.751683 -1458.751689 0.000006
CCl2O Phosgene -1033.722815 -1033.722809 -0.000006
SiP+ Silicon monophosphide cation -630.435880 -630.435886 0.000006
C3H6 Cyclopropane -117.907714 -117.907708 -0.000006
C4H4N pyrrolide radical -209.510717 -209.510723 0.000006
C6H14 Pentane, 3-methyl- -237.174743 -237.174749 0.000006
C6H8 1,4-Cyclohexadiene -233.507430 -233.507424 -0.000006
C5H8O Methyl cyclopropyl ketone -270.544088 -270.544094 0.000006
CH4 Methane -40.538431 -40.538425 -0.000006
Mg- Magnesium atom anion -200.093210 -200.093204 -0.000006
CH3CSCH3 Thioacetone -516.110189 -516.110195 0.000006
Li2S dilithium sulfide -413.355250 -413.355256 0.000006
C5H8O Methyl cyclopropyl ketone -270.555807 -270.555813 0.000006
PS phosphorus sulfide -739.592059 -739.592065 0.000006
FSSF Difluorodisulfane -996.001703 -996.001697 -0.000006
P4 Phosphorus tetramer -1365.441822 -1365.441828 0.000006
H3Se+ Hydrogen Selenide, protonated -2391.662153 -2391.662147 -0.000006
CH3OH- Methyl alcohol anion -115.760560 -115.760554 -0.000006
C5H8 Cyclobutane, methylene- -195.369391 -195.369385 -0.000006
C3H6O 2-Propen-1-ol -193.146483 -193.146477 -0.000006
CD4 methane-d4 -40.538244 -40.538238 -0.000006
CH4 Methane -40.538244 -40.538238 -0.000006
AlF3 Aluminum trifluoride -542.236343 -542.236349 0.000006
CHCCH2CH3 1-Butyne -155.984409 -155.984403 -0.000006
C2HF3+ Trifluoroethylene cation -376.078710 -376.078705 -0.000006
CH3CH2OH Ethanol -155.033805 -155.033799 -0.000006
C3H3N2 imidazolyl radical -225.587559 -225.587553 -0.000006
C4H3ClO Furan,3-chloro -689.612144 -689.612149 0.000006
CH3CH(SH)CH2CH3 2-Butanethiol -556.743259 -556.743253 -0.000006
AlF3 Aluminum trifluoride -74.801915 -74.801921 0.000006
AlF3 Aluminum trifluoride -74.801915 -74.801921 0.000006
C5H8 1,3-Butadiene, 2-methyl- -195.310453 -195.310447 -0.000006
PS phosphorus sulfide -739.596954 -739.596960 0.000006
CH4 Methane -40.538431 -40.538425 -0.000006
CD4 methane-d4 -40.538431 -40.538425 -0.000006
NF2 Difluoroamino radical -254.370238 -254.370244 0.000006
NF2 Difluoroamino radical -254.370238 -254.370244 0.000006
CH4 Methane -40.527942 -40.527936 -0.000006
CH4 Methane -40.527942 -40.527936 -0.000006
CH2CF2 Ethene, 1,1-difluoro- -277.178022 -277.178028 0.000006
SiO Silicon monoxide -364.785662 -364.785656 -0.000006
Li2S dilithium sulfide -413.355230 -413.355235 0.000006
TiH Titanium monohydride -849.869139 -849.869145 0.000006
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.091262 -999.091256 -0.000006
C3H6 Cyclopropane -20.516938 -20.516932 -0.000006
NS- nitrogen sulfide anion -452.908740 -452.908746 0.000006
B2Cl4 Diboron tetrachloride -1890.651834 -1890.651840 0.000006
B2Cl4 Diboron tetrachloride -1890.651834 -1890.651840 0.000006
CH4 Methane -8.058990 -8.058985 -0.000006
CH4 Methane -8.058990 -8.058985 -0.000006
C3H8S2 1,3-Propanedithiol -915.633774 -915.633768 -0.000006
CH3OCH3 Dimethyl ether -155.089859 -155.089864 0.000006
C3H5 Allyl radical -117.306502 -117.306496 -0.000006
CH3CH2SH ethanethiol -478.045630 -478.045624 -0.000006
NO2- Nitrogen dioxide anion -205.120386 -205.120392 0.000006
TiO2 Titanium dioxide -1000.048675 -1000.048681 0.000006
C2H8N2 Ethylenediamine -190.598638 -190.598632 -0.000006
C4H10O2 Ethane, 1,2-dimethoxy- -308.985325 -308.985319 -0.000006
CD4 methane-d4 -40.518389 -40.518383 -0.000006
LiO lithium oxide -82.681264 -82.681270 0.000006
C(CN)4 tetracyanomethane -409.422607 -409.422613 0.000006
CH3CHCl2 Ethane, 1,1-dichloro- -999.123763 -999.123757 -0.000006
LiO lithium oxide -82.681264 -82.681270 0.000006
LiO lithium oxide -82.681264 -82.681270 0.000006
CH4 Methane -40.518389 -40.518383 -0.000006
CH3CHS Thioacetaldehyde -476.853600 -476.853606 0.000006
F2 Fluorine diatomic -199.604867 -199.604872 0.000006
SiH3CCl3 (trichloromethyl)silane -1710.134106 -1710.134100 -0.000006
C3H6 Cyclopropane -117.909324 -117.909318 -0.000006
Si2+ silcon dimer cation -578.549630 -578.549635 0.000006
O2 Oxygen diatomic -150.323366 -150.323361 -0.000006
CCl2 dichloromethylene -958.383064 -958.383070 0.000006
F2 Fluorine diatomic -48.194724 -48.194730 0.000006
F2 Fluorine diatomic -48.194724 -48.194730 0.000006
BeCO3 Beryllium Carbonate -278.575798 -278.575792 -0.000006
BeCO3 Beryllium Carbonate -278.575798 -278.575792 -0.000006
Ti Titanium atom -849.345513 -849.345508 -0.000006
H2SO4 Sulfuric acid -700.418310 -700.418316 0.000006
CH4 Methane -40.526144 -40.526138 -0.000006
CH4 Methane -40.526144 -40.526138 -0.000006
NF3 Nitrogen trifluoride -354.222709 -354.222703 -0.000006
C5H6S Thiophene, 2-methyl- -592.432460 -592.432466 0.000006
C3H7ONO Propyl nitrite -323.770511 -323.770517 0.000006
CH2C(CH3)OCH3 1-Propene, 2-methoxy- -232.428803 -232.428798 -0.000006
CH3OC2H5 Ethane, methoxy- -193.282135 -193.282129 -0.000006
BBr3 Boron tribromide -7747.422270 -7747.422276 0.000006
HSO3 HOSO2 -624.522498 -624.522504 0.000006
C5H12O Propane, 1-ethoxy- -273.087478 -273.087484 0.000006
PS phosphorus sulfide -739.564881 -739.564886 0.000006
PS phosphorus sulfide -739.564881 -739.564886 0.000006
CaH Calcium monohydride -678.093943 -678.093948 0.000006
CaH Calcium monohydride -678.093943 -678.093948 0.000006
CH3N5 5-Aminotetrazole -313.608833 -313.608827 -0.000006
SF3 Sulfur trifluoride -697.691447 -697.691441 -0.000006
MgH- magnesium monohydride anion -200.654108 -200.654102 -0.000006
CHCCH2CH3 1-Butyne -156.005309 -156.005304 -0.000006
Li2S dilithium sulfide -413.355230 -413.355235 0.000006
CH2CHCHCH2 1,3-Butadiene -156.055918 -156.055924 0.000006
C5H4O2 4-Cyclopentene-1,3-dione -343.359696 -343.359701 0.000006
FCO Carbonyl fluoride -211.920921 -211.920916 -0.000006
C(CN)4 tetracyanomethane -409.441738 -409.441744 0.000006
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile -248.284590 -248.284584 -0.000006
BBr3 Boron tribromide -7747.429624 -7747.429629 0.000006
C3H5 Allyl radical -117.266556 -117.266550 -0.000006
C3H6 Cyclopropane -117.904163 -117.904157 -0.000006
PPO PPO -757.935055 -757.935050 -0.000006
CF3COOH trifluoroacetic acid -526.823744 -526.823750 0.000006
C5H10O 2-methylbutyraldehyde -271.782410 -271.782404 -0.000006
C2H5F fluoroethane -179.139799 -179.139793 -0.000006
Li2S dilithium sulfide -413.309790 -413.309796 0.000006
Li2S dilithium sulfide -413.309790 -413.309796 0.000006
NaS Sodium sulfide -560.511233 -560.511228 -0.000006
ArH+ Argon hydride cation -527.708657 -527.708662 0.000006
CH2CHCH3 Propene -117.944056 -117.944051 -0.000006
C6H8 1,3-Cyclohexadiene -233.418911 -233.418916 0.000006
GaH+ Gallium monohydride cation -1915.705643 -1915.705649 0.000006
PS phosphorus sulfide -739.590874 -739.590880 0.000006
C2H4N4 1H-Tetrazole, 5-methyl- -297.575910 -297.575904 -0.000006
HCOOC2H5 Ethyl formate -268.489288 -268.489294 0.000006
CH3CH2SH ethanethiol -478.084444 -478.084439 -0.000006
C4H7NO 2-Pyrrolidinone -286.745071 -286.745077 0.000006
AsH3 Arsine -2237.668228 -2237.668233 0.000006
AsH3 Arsine -2237.668228 -2237.668233 0.000006
NH3NH3 Ammonia Dimer -113.172611 -113.172617 0.000006
NH3NH3 Ammonia Dimer -113.172611 -113.172617 0.000006
NF2 Difluoroamino radical -254.376753 -254.376759 0.000006
CH2CHOH ethenol -153.805678 -153.805672 -0.000006
F2SO Thionyl Fluoride -673.235847 -673.235841 -0.000006
CF3OF Trifluoromethylhypofluorite -512.783009 -512.783015 0.000006
CH3CH2SH ethanethiol -478.035265 -478.035259 -0.000006
PH2 Phosphino radical -342.541189 -342.541195 0.000006
CH2Cl chloromethyl radical -499.496315 -499.496309 -0.000006
NO Nitric oxide -129.863375 -129.863370 -0.000006
NO Nitric oxide -129.863375 -129.863370 -0.000006
BeF- Beryllium monofluoride anion -114.703962 -114.703957 -0.000006
AlN- aluminum mononitride anion -297.102978 -297.102972 -0.000006
NF2 Difluoroamino radical -254.376753 -254.376759 0.000006
Ti Titanium atom -849.301171 -849.301177 0.000006
Cl2 Chlorine diatomic -920.349884 -920.349879 -0.000006
C6H8 Bicyclo[2.2.0]hex-1(4)-ene -233.316593 -233.316598 0.000006
CH3OC2H5 Ethane, methoxy- -194.426524 -194.426519 -0.000006
CH2C(CH3)CH3 1-Propene, 2-methyl- -157.227286 -157.227291 0.000006
Ca Calcium atom -677.539228 -677.539234 0.000006
Ca Calcium atom -677.539228 -677.539234 0.000006
PH2 Phosphino radical -342.541868 -342.541873 0.000006
C5H6O 2-methylfuran -269.343708 -269.343714 0.000006
SiH3 Silyl radical -291.265521 -291.265527 0.000006
C3H3N2 imidazolyl radical -225.570895 -225.570889 -0.000006
HSO3F Fluorosulfonic acid -724.248471 -724.248465 -0.000006
CH3CH2CH2CH3 Butane -158.476590 -158.476584 -0.000006
Cl2 Chlorine diatomic -920.349884 -920.349879 -0.000006
Cl2 Chlorine diatomic -920.349884 -920.349879 -0.000006
CH4 Methane -40.541628 -40.541623 -0.000006
Cl2 Chlorine diatomic -920.349884 -920.349879 -0.000006
H2S- Hydrogen sulfide anion -399.397364 -399.397358 -0.000006
CH3CH2SH ethanethiol -478.027735 -478.027729 -0.000006
CH4 Methane -40.541510 -40.541504 -0.000006
AlF3 Aluminum trifluoride -542.236343 -542.236349 0.000006
CO3-- carbonate -263.586877 -263.586871 -0.000006
C5H8O 2H-Pyran, 3,4-dihydro- -270.544374 -270.544369 -0.000006
CH4 Methane -40.541510 -40.541504 -0.000006
C3H8 Propane -119.144248 -119.144243 -0.000006
CH2CHCH2CH3 1-Butene -157.221067 -157.221072 0.000006
CH4 Methane -40.541628 -40.541623 -0.000006
C4H4N- pyrrolide anion -209.654360 -209.654355 -0.000006
B2Cl4 Diboron tetrachloride -1890.651834 -1890.651840 0.000006
B2Cl4 Diboron tetrachloride -1890.651834 -1890.651840 0.000006
BeF- Beryllium monofluoride anion -114.703962 -114.703957 -0.000006
AlF3 Aluminum trifluoride -74.810313 -74.810318 0.000006
AlF3 Aluminum trifluoride -74.810313 -74.810318 0.000006
SO2F2 Sulfuryl fluoride -748.238379 -748.238374 -0.000006
C3H6 Cyclopropane -20.495721 -20.495715 -0.000006
CH4 Methane -40.537046 -40.537040 -0.000006
SiN Silicon nitride -344.169012 -344.169007 -0.000006
NF3- Nitrogen trifluoride anion -354.268935 -354.268940 0.000006
SiS2 Silicon disulfide -1085.912218 -1085.912212 -0.000006
SiS2 Silicon disulfide -1085.912218 -1085.912212 -0.000006
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile -248.193710 -248.193715 0.000005
CHCl2 dichloromethyl radical -959.079974 -959.079979 0.000005
S2F2 Thio-thionyl fluoride -996.189607 -996.189612 0.000005
S2F2 Thio-thionyl fluoride -996.189607 -996.189612 0.000005
Si Silicon atom -287.922903 -287.922898 -0.000005
CH2CHCHClCH3 1-Butene, 3-chloro- -616.819023 -616.819018 -0.000005
TiH Titanium monohydride -849.961130 -849.961135 0.000005
F2 Fluorine diatomic -199.604867 -199.604872 0.000005
C3H6 Cyclopropane -20.487042 -20.487037 -0.000005
C2H4CO3 Ethylene carbonate -342.446260 -342.446265 0.000005
HOBr Hypobromous acid -2649.944853 -2649.944847 -0.000005
HOBr Hypobromous acid -2649.944853 -2649.944847 -0.000005
C5H4O2 4-Cyclopentene-1,3-dione -343.493434 -343.493429 -0.000005
CH4 Methane -40.524019 -40.524014 -0.000005
CH4 Methane -40.524019 -40.524014 -0.000005
C2F2 difluoroacetylene -275.736722 -275.736717 -0.000005
ScH3 Scandium trihydride -762.395340 -762.395346 0.000005
O Oxygen atom -75.081718 -75.081723 0.000005
C2H6 Ethane -79.400639 -79.400644 0.000005
C2H6 Ethane -79.400639 -79.400644 0.000005
C6H10 1,4-Hexadiene, (E)- -234.616397 -234.616391 -0.000005
Ca2 Calcium dimer -1355.178264 -1355.178259 -0.000005
HCCCl Chloroacetylene -536.942367 -536.942361 -0.000005
C2H6O3S Sulfurous acid, dimethyl ester -703.613580 -703.613575 -0.000005
CH3CBr3 1,1,1-tribromoethane -7800.474772 -7800.474766 -0.000005
CH3CF2Cl 1-Chloro-1,1-Difluoroethane -738.060793 -738.060798 0.000005
O Oxygen atom -75.081954 -75.081959 0.000005
CH2Cl chloromethyl radical -499.496315 -499.496309 -0.000005
C5H10O 2H-Pyran, tetrahydro- -271.770635 -271.770641 0.000005
SiP Silicon monophosphide -627.520381 -627.520386 0.000005
HCCCl Chloroacetylene -536.962285 -536.962280 -0.000005
TiO2 Titanium dioxide -1000.045820 -1000.045825 0.000005
C3H8 Propane -119.159152 -119.159147 -0.000005
NH4+ ammonium cation -56.925348 -56.925342 -0.000005
TiH Titanium monohydride -849.960389 -849.960394 0.000005
C5H10O 2-methylbutyraldehyde -271.772057 -271.772051 -0.000005
NH4+ ammonium cation -56.893895 -56.893889 -0.000005
C5H12S 1-Propanethiol, 2,2-dimethyl- -595.952778 -595.952772 -0.000005
C3H5 Allyl radical -117.306857 -117.306852 -0.000005
CH3CHCHCH3 2-Butene, (Z)- -157.224769 -157.224774 0.000005
CDCl3 trichloromethane-d -1419.413621 -1419.413616 -0.000005
P2H4 H2PPH2 -685.095070 -685.095075 0.000005
O3 Ozone -225.406454 -225.406459 0.000005
CH3CH2SH ethanethiol -478.012896 -478.012890 -0.000005
C3H5 Allyl radical -117.306857 -117.306852 -0.000005
CH4 Methane -40.523686 -40.523681 -0.000005
HOCHNH hydroxymethylimine -169.861175 -169.861180 0.000005
CHCl2 dichloromethyl radical -954.400069 -954.400074 0.000005
CH4 Methane -40.523686 -40.523681 -0.000005
ScH+ Scandium monohydride cation -760.979140 -760.979135 -0.000005
CF3- Trifluoromethyl anion -337.762543 -337.762538 -0.000005
C3H4O allenol -191.955508 -191.955503 -0.000005
SiS2 Silicon disulfide -1085.914586 -1085.914581 -0.000005
CH4 Methane -40.536788 -40.536783 -0.000005
CH4 Methane -40.536788 -40.536783 -0.000005
PN Phosphorus mononitride -396.061835 -396.061830 -0.000005
Si Silicon atom -287.922903 -287.922898 -0.000005
SiH3CCl3 (trichloromethyl)silane -1710.081314 -1710.081308 -0.000005
F2 Fluorine diatomic -199.581116 -199.581111 -0.000005
F2 Fluorine diatomic -199.581116 -199.581111 -0.000005
F2 Fluorine diatomic -199.581116 -199.581111 -0.000005
SiH3 Silyl radical -291.232268 -291.232263 -0.000005
NNS Nitrogen sulfide -507.663998 -507.663993 -0.000005
C6H8 1,4-Cyclohexadiene -233.418497 -233.418503 0.000005
ClONO chlorine nitrite -665.280639 -665.280644 0.000005
SiH3 Silyl radical -291.232268 -291.232263 -0.000005
CH2CHCl Ethene, chloro- -538.195809 -538.195804 -0.000005
C6H8 (E)-hexa-1,3,5-triene -233.490294 -233.490299 0.000005
CH3CHNOH Acetaldoxime -209.131389 -209.131395 0.000005
B2Cl4 Diboron tetrachloride -1890.645779 -1890.645784 0.000005
B2Cl4 Diboron tetrachloride -1890.645779 -1890.645784 0.000005
CH4 Methane -40.518389 -40.518383 -0.000005
CH3OCHO methyl formate -229.080712 -229.080706 -0.000005
C4H7NO Ethoxyacetonitrile -286.577628 -286.577623 -0.000005
Al Aluminum atom -242.382864 -242.382859 -0.000005
C6H15N triethylamine -292.416127 -292.416132 0.000005
AlN+ aluminum mononitride cation -296.695383 -296.695378 -0.000005
Si Silicon atom -287.866885 -287.866880 -0.000005
CF3OF Trifluoromethylhypofluorite -512.645742 -512.645737 -0.000005
CF3OF Trifluoromethylhypofluorite -512.645742 -512.645737 -0.000005
NH2NO Nitrosamide -184.794048 -184.794043 -0.000005
Si Silicon atom -287.866885 -287.866880 -0.000005
C6H3F3 Benzene trifluoride 123 -529.934181 -529.934186 0.000005
CH4 Methane -40.520627 -40.520622 -0.000005
C2H3NO3 Oxamic acid -358.462418 -358.462412 -0.000005
CH3CN- acetonitrile anion -132.799464 -132.799459 -0.000005
CH4 Methane -40.520627 -40.520622 -0.000005
CD4 methane-d4 -40.520627 -40.520622 -0.000005
C3H4N2 1H-Pyrazole -226.288457 -226.288452 -0.000005
HNO2 Nitrous acid -205.695212 -205.695217 0.000005
B2Cl4 Diboron tetrachloride -1890.645779 -1890.645784 0.000005
B2Cl4 Diboron tetrachloride -1890.645779 -1890.645784 0.000005
B2Cl4 Diboron tetrachloride -1890.645779 -1890.645784 0.000005
B2Cl4 Diboron tetrachloride -1890.645779 -1890.645784 0.000005
ScH3 Scandium trihydride -758.733930 -758.733935 0.000005
C5H10 2-Pentene, (Z)- -196.538122 -196.538117 -0.000005
C2H4O3 1,2,3-trioxolane -304.112909 -304.112914 0.000005
AlCl3 Aluminum trichloride -1623.233267 -1623.233272 0.000005
CH3CH2CH2CN Butanenitrile -210.230905 -210.230910 0.000005
Li2S dilithium sulfide -413.357179 -413.357184 0.000005
SiH3CCl3 (trichloromethyl)silane -1710.131272 -1710.131267 -0.000005
BeF- Beryllium monofluoride anion -114.693089 -114.693084 -0.000005
C5H6 1,3-Cyclopentadiene -194.176081 -194.176076 -0.000005
CHF2CHF2 1,1,2,2-tetrafluoroethane -476.975714 -476.975719 0.000005
CHOCHCHCH3 2-Butenal -231.255526 -231.255521 -0.000005
Na2 Sodium diatomic -320.270721 -320.270726 0.000005
HBr- hydrogen bromide anion -2572.275514 -2572.275509 -0.000005
ScH Scandium monohydride -761.217341 -761.217336 -0.000005
BeOH beryllium hydroxide -90.615916 -90.615911 -0.000005
C9H12 n-propyl benzene -350.229515 -350.229510 -0.000005
ClF3 Chlorine trifluoride -759.642893 -759.642899 0.000005
AsH3 Arsine -2237.709187 -2237.709182 -0.000005
CH3CF3 Ethane, 1,1,1-trifluoro- -377.714751 -377.714746 -0.000005
NaH- sodium hydride anion -162.863828 -162.863833 0.000005
CHCCH2CH3 1-Butyne -155.966884 -155.966879 -0.000005
HSe+ selenium monohydride cation -2399.574075 -2399.574070 -0.000005
HSe+ selenium monohydride cation -2399.574075 -2399.574070 -0.000005
HSe+ selenium monohydride cation -2399.574075 -2399.574070 -0.000005
HSe+ selenium monohydride cation -2399.574075 -2399.574070 -0.000005
CH3CF3 Ethane, 1,1,1-trifluoro- -377.722035 -377.722029 -0.000005
NH3NH3 Ammonia Dimer -113.139736 -113.139741 0.000005
Se2- selenium dimer anion -4798.812379 -4798.812374 -0.000005
TiH Titanium monohydride -849.966172 -849.966177 0.000005
CH4 Methane -40.537556 -40.537551 -0.000005
BF3+ boron trifluoride cation -324.140115 -324.140110 -0.000005
C3H6 Cyclopropane -117.897884 -117.897879 -0.000005
NH3NH3 Ammonia Dimer -113.139736 -113.139741 0.000005
CH3CH2SH ethanethiol -478.026760 -478.026755 -0.000005
SH+ sulfur monohydride cation -398.357714 -398.357709 -0.000005
CH3COCH3 Acetone -193.174501 -193.174506 0.000005
CaH+ Calcium monohydride cation -677.876943 -677.876948 0.000005
AlF3 Aluminum trifluoride -542.197067 -542.197072 0.000005
C4H8 cyclobutane -156.360123 -156.360128 0.000005
C4H8 cyclobutane -156.360123 -156.360128 0.000005
CH3SiH3 methyl silane -331.210877 -331.210872 -0.000005
AlCl+ aluminum monochloride cation -702.345046 -702.345051 0.000005
CF3COOH trifluoroacetic acid -526.782359 -526.782364 0.000005
BeF- Beryllium monofluoride anion -114.693089 -114.693084 -0.000005
H2POH Phosphinous acid -418.388316 -418.388321 0.000005
NH3NH3 Ammonia Dimer -113.139736 -113.139741 0.000005
C2H4O3 1,2,3-trioxolane -304.143637 -304.143642 0.000005
SH Mercapto radical -398.766926 -398.766920 -0.000005
SH Mercapto radical -398.766925 -398.766920 -0.000005
NH3NH3 Ammonia Dimer -113.139736 -113.139741 0.000005
CHClCCl2 Trichloroethylene -1457.512556 -1457.512551 -0.000005
HNO- Nitrosyl hydride anion -130.455002 -130.454997 -0.000005
H2SeO4 Selenic acid -2703.528842 -2703.528837 -0.000005
C6H12 (E)-2-Hexene -235.946792 -235.946787 -0.000005
N2H4+ hydrazine cation -111.600330 -111.600335 0.000005
BeCl2 Beryllium chloride -935.376633 -935.376628 -0.000005
C3H3N2 imidazolyl radical -225.556934 -225.556929 -0.000005
HSe+ selenium monohydride cation -2399.512013 -2399.512008 -0.000005
BrONO2 Bromine nitrate -2854.573407 -2854.573402 -0.000005
HO2 Hydroperoxy radical -150.068933 -150.068928 -0.000005
HO2 Hydroperoxy radical -150.068933 -150.068928 -0.000005
B Boron atom -24.660867 -24.660872 0.000005
C6H5CH2CH3 Ethylbenzene -310.880231 -310.880226 -0.000005
CH3COO- acetate anion -228.621930 -228.621925 -0.000005
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.021584 -999.021579 -0.000005
C3H5+ Allyl cation -116.972219 -116.972214 -0.000005
O3+ Ozone cation -225.041376 -225.041371 -0.000005
CH4 Methane -40.533748 -40.533743 -0.000005
CF3COF trifluoroacetyl fluoride -550.824877 -550.824882 0.000005
ClCN chlorocyanogen -553.085417 -553.085412 -0.000005
AlF3 Aluminum trifluoride -542.188445 -542.188450 0.000005
CH2Cl chloromethyl radical -499.438327 -499.438322 -0.000005
CH4 Methane -40.533748 -40.533743 -0.000005
TiH Titanium monohydride -849.966377 -849.966382 0.000005
C3H5 Allyl radical -117.287439 -117.287434 -0.000005
C3H5 Allyl radical -117.287439 -117.287434 -0.000005
C3H5+ Allyl cation -117.014122 -117.014117 -0.000005
HOCHNH hydroxymethylimine -169.940360 -169.940365 0.000005
C4H8 cyclobutane -157.271413 -157.271408 -0.000005
C4H8 cyclobutane -157.271413 -157.271408 -0.000005
C2H2F2 Ethene, 1,2-difluoro-, (E)- -277.040862 -277.040857 -0.000005
CH2Cl chloromethyl radical -499.438329 -499.438324 -0.000005
SH Mercapto radical -396.781951 -396.781946 -0.000005
SH Mercapto radical -396.781951 -396.781946 -0.000005
CH3NO3 Methyl nitrate -320.325240 -320.325235 -0.000005
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.752519 -638.752514 -0.000005
GaAs Gallium arsenide -4140.569446 -4140.569451 0.000005
NNS Nitrogen sulfide -507.701886 -507.701891 0.000005
SiC silicon monocarbide -327.350906 -327.350901 -0.000005
SiC silicon monocarbide -327.350906 -327.350901 -0.000005
CH4 Methane -40.038925 -40.038920 -0.000005
CO Carbon monoxide -21.616057 -21.616052 -0.000005
CO Carbon monoxide -21.616057 -21.616052 -0.000005
PO2- Phosphorus dioxide anion -492.008169 -492.008174 0.000005
C6H5 phenyl -231.561281 -231.561276 -0.000005
NH2CONH2 Urea -225.279305 -225.279300 -0.000005
LiCN lithium cyanide -100.389152 -100.389147 -0.000005
SH Mercapto radical -398.762489 -398.762484 -0.000005
SH Mercapto radical -398.762489 -398.762484 -0.000005
C3H6 Cyclopropane -117.863880 -117.863875 -0.000005
H2S- Hydrogen sulfide anion -399.323933 -399.323928 -0.000005
CH4 Methane -40.038924 -40.038920 -0.000005
SiH3+ Silyl cation -290.933142 -290.933147 0.000005
HNO3 Nitric acid -280.900611 -280.900616 0.000005
C4H4N pyrrolide radical -209.523641 -209.523646 0.000005
Al Aluminum atom -242.382864 -242.382859 -0.000005
CH3CHCHCH3 2-Butene, (E)- -157.226906 -157.226911 0.000005
H2CO3 Carbonic acid -265.121954 -265.121949 -0.000005
C3H4N2 4H-Imidazole -226.191785 -226.191780 -0.000005
B Boron atom -24.661864 -24.661869 0.000005
HCl- hydrogen chloride anion -460.762791 -460.762796 0.000005
SiC silicon monocarbide -327.348424 -327.348419 -0.000005
SiC silicon monocarbide -327.348424 -327.348419 -0.000005
H2CS Thioformaldehyde -437.514970 -437.514975 0.000005
NaBr Sodium Bromide -2736.618974 -2736.618979 0.000005
C2H4- Ethylene anion -78.597572 -78.597567 -0.000005
C2H8N2 Ethylenediamine -190.604249 -190.604244 -0.000005
I2+ Iodine diatomic cation -13780.778169 -13780.778174 0.000005
LiCN lithium cyanide -100.376841 -100.376836 -0.000005
LiCN lithium cyanide -100.376841 -100.376836 -0.000005
F Fluorine atom -99.715531 -99.715535 0.000005
C3H3N2 imidazolyl radical -225.636119 -225.636114 -0.000005
C6H4 (E)-Hexa-1,5-diyne-3-ene -230.975985 -230.975980 -0.000005
CHCl2 dichloromethyl radical -959.129513 -959.129508 -0.000005
CS- carbon monosulfide anion -436.271966 -436.271961 -0.000005
SiH3+ Silyl cation -290.965752 -290.965757 0.000005
BeCl2 Beryllium chloride -935.377723 -935.377718 -0.000005
SiH4 Silane -291.883686 -291.883691 0.000005
CHCCH2CH3 1-Butyne -155.975753 -155.975748 -0.000005
BF Boron monofluoride -124.725595 -124.725590 -0.000005
HSSSH trisulfane -1195.766488 -1195.766483 -0.000005
BF3+ boron trifluoride cation -324.141680 -324.141675 -0.000005
C3H6O Propylene oxide -193.108518 -193.108513 -0.000005
F Fluorine atom -99.713645 -99.713650 0.000005
C5H7N (Z)-2-Pentenenitrile -249.563614 -249.563609 -0.000005
C Carbon atom -5.406765 -5.406769 0.000005
NH2CH2CH2COOH β–alanine -323.885360 -323.885364 0.000005
NS Mononitrogen monosulfide -452.918088 -452.918083 -0.000005
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.016302 -999.016297 -0.000005
BeCl2 Beryllium chloride -935.295555 -935.295550 -0.000005
CH2CF2 Ethene, 1,1-difluoro- -277.183070 -277.183075 0.000005
C3H4O2 2-Propenoic acid -267.159834 -267.159839 0.000005
C2H6 Ethane -14.922643 -14.922648 0.000005
CHCl2 dichloromethyl radical -959.127653 -959.127649 -0.000005
C3H5 Allyl radical -117.296128 -117.296124 -0.000005
CDCl3 trichloromethane-d -1419.410977 -1419.410972 -0.000005
C2H7+ Ethane, protonated -80.100530 -80.100526 -0.000005
C6H5CH2 benzyl radical -271.012818 -271.012822 0.000005
C6H5CH2 benzyl radical -271.012818 -271.012822 0.000005
ArH+ Argon hydride cation -527.654546 -527.654551 0.000005
C4H8 cyclobutane -157.272399 -157.272394 -0.000005
F Fluorine atom -99.753814 -99.753809 -0.000005
C4H8 cyclobutane -157.272399 -157.272394 -0.000005
NS Mononitrogen monosulfide -452.920820 -452.920815 -0.000005
CHCl2 dichloromethyl radical -959.088934 -959.088939 0.000005
BF Boron monofluoride -124.658039 -124.658034 -0.000005
BF Boron monofluoride -124.658039 -124.658034 -0.000005
HCS- Thioformyl anion -436.814638 -436.814634 -0.000005
CHCl2 dichloromethyl radical -959.078907 -959.078912 0.000005
B Boron atom -24.663753 -24.663758 0.000005
CHF2CHF2 1,1,2,2-tetrafluoroethane -476.964979 -476.964984 0.000005
CHClCCl2 Trichloroethylene -1457.373174 -1457.373179 0.000005
HOCHNH hydroxymethylimine -169.944997 -169.945002 0.000005
SO3 Sulfur trioxide -623.919212 -623.919208 -0.000005
NCl+ nitrogen monochloride cation -514.417983 -514.417978 -0.000005
CH2ClCHO chloroacetaldehyde -613.522272 -613.522277 0.000005
C3H5 Allyl radical -117.310636 -117.310632 -0.000005
CCl carbon monochloride -498.131258 -498.131263 0.000005
CCl carbon monochloride -498.131258 -498.131263 0.000005
C5H11N Piperidine -251.904372 -251.904377 0.000005
C3H4O2 Methyl glyoxal -267.257447 -267.257443 -0.000005
CH3NO3 Methyl nitrate -320.319135 -320.319130 -0.000005
NNS Nitrogen sulfide -507.744486 -507.744481 -0.000005
AlF3 Aluminum trifluoride -542.188445 -542.188450 0.000005
SF3 Sulfur trifluoride -697.637541 -697.637536 -0.000005
NNS Nitrogen sulfide -507.742833 -507.742828 -0.000005
CO Carbon monoxide -21.564363 -21.564358 -0.000005
CO Carbon monoxide -21.564363 -21.564358 -0.000005
C6H12 (Z)-hex-3-ene -235.851472 -235.851467 -0.000005
SiH+ silicon monohydride cation -289.712604 -289.712599 -0.000005
BF Boron monofluoride -124.726103 -124.726099 -0.000005
NH3NH3 Ammonia Dimer -113.145472 -113.145477 0.000005
C3H4N2 4H-Imidazole -226.276336 -226.276332 -0.000005
H2- hydrogen diatomic anion -1.141499 -1.141503 0.000005
CH2C(CH3)OCH3 1-Propene, 2-methoxy- -232.525360 -232.525355 -0.000005
HOCH hydroxycarbene -114.468683 -114.468678 -0.000005
CD4 methane-d4 -40.516354 -40.516349 -0.000005
CH4 Methane -40.516354 -40.516349 -0.000005
CH4 Methane -40.516354 -40.516349 -0.000005
H2ONH3 Water Ammonia Dimer -133.064761 -133.064766 0.000005
C2H2F2 Ethene, 1,2-difluoro-, (E)- -277.167588 -277.167583 -0.000005
SiH2 silicon dihydride -290.613149 -290.613144 -0.000005
SiH2 silicon dihydride -290.613149 -290.613144 -0.000005
SiH+ silicon monohydride cation -289.712005 -289.712001 -0.000005
SO3 Sulfur trioxide -623.924322 -623.924318 -0.000005
C2H5F fluoroethane -179.135615 -179.135610 -0.000005
Al2H6 dialane -488.460760 -488.460755 -0.000005
C3H5 Allyl radical -117.309273 -117.309269 -0.000005
C3H4O2 β–Propiolactone -267.153532 -267.153537 0.000005
NaH- sodium hydride anion -162.888054 -162.888059 0.000005
C3H6 Cyclopropane -117.246432 -117.246428 -0.000005
B Boron atom -24.654349 -24.654354 0.000005
B Boron atom -24.654349 -24.654354 0.000005
CH3OCHO methyl formate -229.160580 -229.160575 -0.000005
BF Boron monofluoride -124.716100 -124.716096 -0.000005
CH2NOH formaldoxime -169.881263 -169.881258 -0.000005
NH3NH3 Ammonia Dimer -113.181310 -113.181314 0.000005
C4H4N- pyrrolide anion -209.666123 -209.666119 -0.000005
Na2 Sodium diatomic -324.607115 -324.607119 0.000005
C2H6+ ethane cation -79.442800 -79.442795 -0.000005
HOCH hydroxycarbene -114.465090 -114.465085 -0.000005
C3H6O 2-Propen-1-ol -193.122220 -193.122215 -0.000005
C5H10 1-Butene, 2-methyl- -196.539591 -196.539586 -0.000005
SiF3+ Silicon trifluoride cation -588.803658 -588.803653 -0.000005
C3H5 Allyl radical -117.310636 -117.310632 -0.000005
SiF3+ Silicon trifluoride cation -588.803658 -588.803653 -0.000005
C5H10O 2-methylbutyraldehyde -271.786029 -271.786024 -0.000005
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.702096 -638.702091 -0.000005
C2H6 Ethane -14.902191 -14.902196 0.000005
C3H5 Allyl radical -117.296128 -117.296124 -0.000005
H2OHCOOH Water formic acid dimer 2 -266.318288 -266.318292 0.000005
NH3NH3 Ammonia Dimer -113.175054 -113.175058 0.000005
NaF+ sodium fluoride cation -261.869935 -261.869930 -0.000005
CCl carbon monochloride -498.187289 -498.187285 -0.000005
C6H12O2 Methyl pivalate -386.330149 -386.330144 -0.000005
CH3CH2SH ethanethiol -478.057720 -478.057715 -0.000005
CCl2 dichloromethylene -958.388918 -958.388922 0.000005
MgS magnesium sulfide -598.311255 -598.311260 0.000005
C4H6O Cyclobutanone -231.315634 -231.315638 0.000005
C5H10 Cyclopentane -196.630431 -196.630435 0.000005
NO3- nitrate anion -280.462581 -280.462577 -0.000005
SF Monosulfur monofluoride -498.023100 -498.023096 -0.000005
CH3OH- Methyl alcohol anion -115.721082 -115.721078 -0.000005
CCl carbon monochloride -498.187289 -498.187285 -0.000005
ScH3 Scandium trihydride -762.400170 -762.400175 0.000005
CH3OC2H5 Ethane, methoxy- -194.364157 -194.364153 -0.000005
C3H5 Allyl radical -117.266555 -117.266550 -0.000005
PCl5 Phosphorus pentachloride -2642.356834 -2642.356839 0.000005
HCCCl Chloroacetylene -536.948882 -536.948877 -0.000005
CH3CHNH ethanimine -133.972867 -133.972862 -0.000005
HCCCl Chloroacetylene -536.921913 -536.921908 -0.000005
C2H3OC2H5 Ethene, ethoxy- -232.429908 -232.429912 0.000005
ScH3 Scandium trihydride -762.400170 -762.400175 0.000005
NS Mononitrogen monosulfide -452.920820 -452.920815 -0.000005
C5H6 1,3-Cyclopentadiene -194.101058 -194.101062 0.000005
C5H6 1,3-Cyclopentadiene -194.101058 -194.101062 0.000005
C5H6 1,3-Cyclopentadiene -194.101058 -194.101062 0.000005
C5H6 1,3-Cyclopentadiene -194.101058 -194.101062 0.000005
PCl- phosphorus monochloride anion -801.544237 -801.544233 -0.000005
Ar Argon atom -525.064102 -525.064097 -0.000005
H2CS Thioformaldehyde -437.513802 -437.513807 0.000005
NH2COOH Carbamic acid -245.131285 -245.131290 0.000005
NS Mononitrogen monosulfide -452.918088 -452.918083 -0.000005
C6H8 (E)-hexa-1,3,5-triene -233.398548 -233.398552 0.000005
C3H3N2 imidazolyl radical -225.639882 -225.639878 -0.000005
H2SO3 Sulfurous acid -625.077651 -625.077656 0.000005
KO Potassium monoxide -671.613779 -671.613774 -0.000005
ScH3 Scandium trihydride -762.391985 -762.391989 0.000005
C3H5 Allyl radical -117.309273 -117.309269 -0.000005
SiH+ silicon monohydride cation -289.715897 -289.715893 -0.000005
AlH4- Aluminum tetrahydride anion -244.851069 -244.851074 0.000005
HCO2- formate anion -189.177563 -189.177567 0.000005
C2H6 Ethane -14.893893 -14.893897 0.000005
NS Mononitrogen monosulfide -452.925982 -452.925978 -0.000005
SH Mercapto radical -398.740028 -398.740023 -0.000004
SH Mercapto radical -398.740028 -398.740023 -0.000004
SH Mercapto radical -398.740028 -398.740023 -0.000004
PCl phosphorus chloride -801.511590 -801.511586 -0.000004
SiH2 silicon dihydride -290.617239 -290.617235 -0.000004
SH Mercapto radical -398.765157 -398.765152 -0.000004
CH3NNCH3 (E)-1,2-Dimethyldiazene -189.275392 -189.275396 0.000004
C2H6 Ethane -14.911404 -14.911408 0.000004
HCCCl Chloroacetylene -536.913260 -536.913256 -0.000004
C5H7N 1H-Pyrrole, 1-methyl- -249.477847 -249.477851 0.000004
CH2CHCH3 Propene -20.527606 -20.527602 -0.000004
C5H10O 2-methylbutyraldehyde -271.837307 -271.837303 -0.000004
H3PO Phosphine oxide -418.416881 -418.416877 -0.000004
PN+ phosphorus nitride cation -395.627254 -395.627250 -0.000004
C5H8 1,3-Pentadiene, (E)- -195.391230 -195.391226 -0.000004
C6H3F3 Benzene trifluoride 123 -529.972322 -529.972326 0.000004
HCCCl Chloroacetylene -536.915287 -536.915282 -0.000004
HOCHNH hydroxymethylimine -169.900651 -169.900655 0.000004
SiC silicon monocarbide -327.329692 -327.329688 -0.000004
SiC silicon monocarbide -327.329692 -327.329688 -0.000004
SiC silicon monocarbide -327.329692 -327.329688 -0.000004
SiC silicon monocarbide -327.329692 -327.329688 -0.000004
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.026411 -999.026406 -0.000004
BeCO3 Beryllium Carbonate -277.028638 -277.028633 -0.000004
CF2 Difluoromethylene -237.798011 -237.798007 -0.000004
PO Phosphorus monoxide -416.605370 -416.605365 -0.000004
CH2NOH formaldoxime -169.823453 -169.823448 -0.000004
SiO- silicon monoxide anion -364.699296 -364.699292 -0.000004
PCl3 Phosphorus trichloride -1722.164249 -1722.164245 -0.000004
BF Boron monofluoride -124.671075 -124.671071 -0.000004
H2SO3 Sulfurous acid -625.032609 -625.032613 0.000004
C2O4-- oxalate anion -377.244230 -377.244225 -0.000004
SiH+ silicon monohydride cation -289.712603 -289.712599 -0.000004
C5H8 Cyclopentene -195.327142 -195.327137 -0.000004
C3H7N Cyclopropylamine -173.314127 -173.314122 -0.000004
CH3OH- Methyl alcohol anion -115.681956 -115.681952 -0.000004
F2O Difluorine monoxide -274.672827 -274.672831 0.000004
PO Phosphorus monoxide -416.605369 -416.605365 -0.000004
SiH+ silicon monohydride cation -289.712005 -289.712001 -0.000004
C5H10O 2H-Pyran, tetrahydro- -271.875496 -271.875501 0.000004
CH2NOH formaldoxime -169.844926 -169.844921 -0.000004
NO Nitric oxide -129.862663 -129.862659 -0.000004
NO Nitric oxide -129.862663 -129.862659 -0.000004
BF Boron monofluoride -124.675727 -124.675723 -0.000004
C3H4N2 1H-Imidazole -226.301319 -226.301323 0.000004
C- Carbon atom anion -37.856208 -37.856204 -0.000004
CH3NNCH3 (E)-1,2-Dimethyldiazene -189.301575 -189.301579 0.000004
C3H4N2 1H-Pyrazole -226.219000 -226.218996 -0.000004
PO Phosphorus monoxide -416.601652 -416.601648 -0.000004
Mg2 Magnesium diatomic -400.183137 -400.183142 0.000004
CH2CHCH3 Propene -20.502666 -20.502661 -0.000004
C6H4F2 1,4-difluorobenzene -430.713873 -430.713868 -0.000004
C2H6 Ethane -79.830416 -79.830421 0.000004
NH2COOH Carbamic acid -245.143579 -245.143584 0.000004
CH3CH2SH ethanethiol -478.070909 -478.070904 -0.000004
CH3SOCH3 Dimethyl sulfoxide -553.300399 -553.300404 0.000004
PO Phosphorus monoxide -416.601652 -416.601648 -0.000004
HOONO2 peroxy nitric acid -356.159562 -356.159558 -0.000004
H2S- Hydrogen sulfide anion -399.417451 -399.417447 -0.000004
C5H4N4 purine -411.946350 -411.946346 -0.000004
MgS- magnesium sulfide anion -598.327320 -598.327316 -0.000004
Cl Chlorine atom -14.865416 -14.865412 -0.000004
AlF3 Aluminum trifluoride -542.205971 -542.205975 0.000004
AlF3 Aluminum trifluoride -542.205971 -542.205975 0.000004
BH4 borohydride -27.153270 -27.153275 0.000004
NS Mononitrogen monosulfide -452.858661 -452.858657 -0.000004
NS Mononitrogen monosulfide -452.858661 -452.858657 -0.000004
NH3COOH+ protonated Carbamic acid -245.545817 -245.545821 0.000004
F Fluorine atom -99.715531 -99.715535 0.000004
H2CCCCH2 Butatriene -154.745995 -154.745991 -0.000004
NH2F monofluoroamine -155.704003 -155.704007 0.000004
SiH+ silicon monohydride cation -289.696526 -289.696522 -0.000004
SiH+ silicon monohydride cation -289.696526 -289.696522 -0.000004
SiH3 Silyl radical -291.265165 -291.265169 0.000004
SH Mercapto radical -398.745129 -398.745125 -0.000004
SH Mercapto radical -398.745129 -398.745125 -0.000004
HCCl Chloromethylene -498.818655 -498.818651 -0.000004
CH3CH2CH2CN Butanenitrile -211.459428 -211.459432 0.000004
SiH3 Silyl radical -291.265165 -291.265169 0.000004
C2Cl4 Tetrachloroethylene -1917.130862 -1917.130858 -0.000004
C2H2O4 Oxalic Acid -378.490128 -378.490132 0.000004
C4H9ClO 1-Chloro-2-ethoxyethane -693.257136 -693.257140 0.000004
C3H8 Propane -119.192960 -119.192955 -0.000004
NH2CN cyanamide -148.822128 -148.822132 0.000004
CH3CONH2 Acetamide -209.307860 -209.307855 -0.000004
SiH+ silicon monohydride cation -289.695289 -289.695284 -0.000004
SiH+ silicon monohydride cation -289.695289 -289.695284 -0.000004
SiH+ silicon monohydride cation -289.695289 -289.695284 -0.000004
SiH+ silicon monohydride cation -289.695289 -289.695284 -0.000004
ClF3 Chlorine trifluoride -759.643125 -759.643120 -0.000004
Cl Chlorine atom -460.178524 -460.178528 0.000004
NH2CN cyanamide -148.844303 -148.844307 0.000004
ONONO Nitrosyl nitrite -335.101038 -335.101034 -0.000004
CH2CHCH3 Propene -117.911690 -117.911686 -0.000004
C4H6N2 1H-Imidazole, 2-methyl- -265.641626 -265.641630 0.000004
SiH+ silicon monohydride cation -289.697191 -289.697187 -0.000004
SiH+ silicon monohydride cation -289.697191 -289.697187 -0.000004
CH2CH2OH 2-hydroxy ethyl radical -154.357301 -154.357297 -0.000004
CF- carbon monofluoride anion -137.818370 -137.818375 0.000004
BF Boron monofluoride -124.666455 -124.666451 -0.000004
C9H8 Indene -347.783238 -347.783234 -0.000004
Cl Chlorine atom -14.865597 -14.865592 -0.000004
CHF2 difluoromethyl radical -238.417552 -238.417557 0.000004
CHBr bromomethylene -2610.264568 -2610.264572 0.000004
BeO beryllium oxide -89.914224 -89.914219 -0.000004
Na Sodium atom -162.298993 -162.298988 -0.000004
Na Sodium atom -162.298970 -162.298965 -0.000004
C6H8 1,4-Cyclohexadiene -233.439839 -233.439835 -0.000004
C6H5NO2 Nitrobenzene -436.917926 -436.917922 -0.000004
BrONO2 Bromine nitrate -2854.579572 -2854.579568 -0.000004
C4H4S Thiophene -553.100390 -553.100386 -0.000004
AlF3 Aluminum trifluoride -542.332449 -542.332453 0.000004
AlF3 Aluminum trifluoride -542.332449 -542.332453 0.000004
AlF3 Aluminum trifluoride -542.332449 -542.332453 0.000004
BH4- borohydride anion -27.278915 -27.278911 -0.000004
SiH3 Silyl radical -291.265523 -291.265527 0.000004
CHOCH2OH hydroxy acetaldehyde -229.035797 -229.035793 -0.000004
CH3OC2H5 Ethane, methoxy- -194.419702 -194.419698 -0.000004
SH Mercapto radical -398.743279 -398.743275 -0.000004
SH Mercapto radical -398.743279 -398.743275 -0.000004
C3H7SH 1-Propanethiol -517.414051 -517.414055 0.000004
CH3OCH2 methoxymethyl radical -154.361822 -154.361818 -0.000004
C6H5CCH phenylacetylene -308.509241 -308.509246 0.000004
C6H12 (Z)-3-methylpent-2-ene -235.947142 -235.947146 0.000004
SH Mercapto radical -398.767147 -398.767143 -0.000004
SH Mercapto radical -398.767147 -398.767143 -0.000004
C4H4N- pyrrolide anion -209.614672 -209.614668 -0.000004
NH2CN cyanamide -148.847597 -148.847601 0.000004
HCONH2CN2H4 formamide aminomethanimine dimer -318.158728 -318.158724 -0.000004
HCCl Chloromethylene -498.820446 -498.820442 -0.000004
SiH3 Silyl radical -291.265165 -291.265169 0.000004
HOONO2 peroxy nitric acid -356.167173 -356.167169 -0.000004
SiH3 Silyl radical -291.265165 -291.265169 0.000004
HOCH hydroxycarbene -114.438983 -114.438979 -0.000004
SiS- silicon monosulfide anion -687.707621 -687.707625 0.000004
BrNO Nitrosyl bromide -2701.599484 -2701.599489 0.000004
CH2BOH hydroxy(methylene)borane -140.009949 -140.009953 0.000004
NS- nitrogen sulfide anion -452.842048 -452.842044 -0.000004
CH3CHS Thioacetaldehyde -476.855057 -476.855061 0.000004
Al(CH3)3 trimethyl aluminum -362.189256 -362.189260 0.000004
CS+ carbon monosulfide cation -435.791152 -435.791148 -0.000004
H2O2 Hydrogen peroxide -150.699771 -150.699767 -0.000004
HOCHNH hydroxymethylimine -169.936870 -169.936874 0.000004
C3H4N2 1H-Imidazole -226.214554 -226.214559 0.000004
V Vanadium atom -943.838442 -943.838446 0.000004
SH Mercapto radical -398.764289 -398.764285 -0.000004
Cl Chlorine atom -460.166156 -460.166161 0.000004
C9H12 n-propyl benzene -350.320008 -350.320012 0.000004
H2O2 Hydrogen peroxide -150.699771 -150.699767 -0.000004
Cl Chlorine atom -14.867139 -14.867135 -0.000004
C6H5CH2 benzyl radical -271.015449 -271.015453 0.000004
V Vanadium atom -943.823703 -943.823707 0.000004
V Vanadium atom -943.823703 -943.823707 0.000004
CCl2 dichloromethylene -958.479758 -958.479753 -0.000004
VO Vanadium monoxide -1019.246807 -1019.246811 0.000004
C4H3ClO Furan, 2-chloro -689.617167 -689.617163 -0.000004
C2H4N2O2 Oxalamide -338.752961 -338.752965 0.000004
C3H4N2 1H-Imidazole -226.305302 -226.305306 0.000004
SiH+ silicon monohydride cation -289.717459 -289.717455 -0.000004
SiH+ silicon monohydride cation -289.717459 -289.717455 -0.000004
H2S Hydrogen sulfide -397.413853 -397.413848 -0.000004
H2S Hydrogen sulfide -397.413853 -397.413848 -0.000004
AlF2Cl Aluminum chloride difluoride -902.526407 -902.526403 -0.000004
Na2- sodium dimer anion -324.637929 -324.637933 0.000004
CH3COF Acetyl fluoride -253.203128 -253.203124 -0.000004
BeO beryllium oxide -89.904637 -89.904633 -0.000004
C4H8 cyclobutane -157.229119 -157.229115 -0.000004
C4H8 cyclobutane -157.229119 -157.229115 -0.000004
C6H8 (E)-hexa-2,3,4-triene -233.378879 -233.378884 0.000004
BeO beryllium oxide -89.904637 -89.904633 -0.000004
CH3NH2 methyl amine -95.899979 -95.899975 -0.000004
CH3NH2 methyl amine -95.899979 -95.899975 -0.000004
SCN thiocyanato radical -490.985115 -490.985111 -0.000004
OH Hydroxyl radical -16.477563 -16.477567 0.000004
OH Hydroxyl radical -16.477563 -16.477567 0.000004
CO Carbon monoxide -21.609923 -21.609919 -0.000004
CO Carbon monoxide -21.609923 -21.609919 -0.000004
HCCl Chloromethylene -498.788813 -498.788809 -0.000004
C Carbon atom -5.407255 -5.407251 -0.000004
C3H3N3 1,3,5-Triazine -280.364775 -280.364770 -0.000004
CH3NH2 methyl amine -95.878561 -95.878556 -0.000004
CH3NH2 methyl amine -95.878561 -95.878556 -0.000004
C3H4O2 Methyl glyoxal -267.252919 -267.252915 -0.000004
C3H5 Allyl radical -116.619932 -116.619928 -0.000004
C3H5 Allyl radical -116.619932 -116.619928 -0.000004
C3H5 Allyl radical -116.619932 -116.619928 -0.000004
NCl+ nitrogen monochloride cation -514.481481 -514.481477 -0.000004
CO- carbon monoxide anion -113.214591 -113.214587 -0.000004
C5H10O 2-methylbutyraldehyde -270.287037 -270.287041 0.000004
PH- phosphorus monohydride anion -341.894433 -341.894437 0.000004
C4H8 cyclobutane -157.216396 -157.216392 -0.000004
C4H8 cyclobutane -157.216396 -157.216392 -0.000004
CH2CHNH vinylazine -133.356631 -133.356627 -0.000004
C5H5NO 4-Pyridinol -323.633956 -323.633952 -0.000004
Cl2 Chlorine diatomic -920.435244 -920.435248 0.000004
C4H3ClO Furan, 2-chloro -689.612059 -689.612055 -0.000004
C3H6 Cyclopropane -117.895207 -117.895203 -0.000004
Mg2- magnesium dimer anion -400.156059 -400.156064 0.000004
C5H6 3-Penten-1-yne, (Z)- -194.134273 -194.134277 0.000004
CH3CHF2 Ethane, 1,1-difluoro- -278.301606 -278.301610 0.000004
C5H12S Butane, 1-(methylthio)- -595.955682 -595.955686 0.000004
HCl Hydrogen chloride -455.760681 -455.760677 -0.000004
CH3CBr3 1,1,1-tribromoethane -7800.489796 -7800.489792 -0.000004
Cl Chlorine atom -14.867297 -14.867293 -0.000004
C3H8 Propane -119.192336 -119.192332 -0.000004
C2H6N2O Urea, methyl- -264.688323 -264.688319 -0.000004
C5H8 1,2-Pentadiene -195.289464 -195.289460 -0.000004
P2 Phosphorus diatomic -682.731745 -682.731749 0.000004
NH2CONH2 Urea -225.310916 -225.310920 0.000004
FNO Nitrosyl fluoride -229.801816 -229.801812 -0.000004
NH2CH2CH2COOH β–alanine -323.878910 -323.878914 0.000004
CH2NH Methanimine -94.669398 -94.669402 0.000004
Mg2 Magnesium diatomic -400.182836 -400.182840 0.000004
CH3OCHO methyl formate -229.063014 -229.063010 -0.000004
CH3CH2CH2CN Butanenitrile -211.462910 -211.462914 0.000004
SH- mercapto anion -398.806252 -398.806248 -0.000004
P2 Phosphorus diatomic -682.731745 -682.731749 0.000004
ScH3 Scandium trihydride -762.458718 -762.458714 -0.000004
C- Carbon atom anion -37.849956 -37.849952 -0.000004
HOCHCCHOH allenediol -267.083699 -267.083703 0.000004
AlH- aluminum monohydride anion -243.018319 -243.018315 -0.000004
ScH3 Scandium trihydride -762.457478 -762.457474 -0.000004
SiH2 silicon dihydride -290.631716 -290.631712 -0.000004
H2O3 Hydrogen trioxide -226.735553 -226.735557 0.000004
H2Cl+ dihydrogen monochloride cation -461.008716 -461.008720 0.000004
PPO PPO -757.876191 -757.876187 -0.000004
CHClCCl2 Trichloroethylene -1457.510084 -1457.510080 -0.000004
CH3COOH Acetic acid -229.181173 -229.181177 0.000004
Mg2 Magnesium diatomic -400.182836 -400.182840 0.000004
NO3- nitrate anion -280.481790 -280.481786 -0.000004
C2H4F2 1,2-difluoroethane -278.277995 -278.277991 -0.000004
CH3CHNOH Acetaldoxime -209.220514 -209.220518 0.000004
C4H8 cyclobutane -157.227991 -157.227986 -0.000004
C4H8 cyclobutane -157.227991 -157.227986 -0.000004
Al2H6 dialane -488.489423 -488.489419 -0.000004
AlH2 aluminum dihydride -243.566409 -243.566413 0.000004
AlH2 aluminum dihydride -243.566409 -243.566413 0.000004
C4H6O2 γ–Butyrolactone -306.614456 -306.614460 0.000004
CH2NH Methanimine -94.640609 -94.640613 0.000004
C2H4O3 1,2,3-trioxolane -304.094231 -304.094235 0.000004
C6H12 (Z)-3-methylpent-2-ene -235.855600 -235.855604 0.000004
HNO- Nitrosyl hydride anion -130.551146 -130.551142 -0.000004
ScH+ Scandium monohydride cation -760.965748 -760.965744 -0.000004
C5H12O 1-Butanol, 2-methyl- -273.092616 -273.092612 -0.000004
OH Hydroxyl radical -16.490847 -16.490851 0.000004
OH Hydroxyl radical -16.490847 -16.490851 0.000004
CH3COOH Acetic acid -229.185823 -229.185826 0.000004
NH2CN cyanamide -148.796245 -148.796249 0.000004
LiC Lithium Carbide -45.444903 -45.444907 0.000004
AlH- aluminum monohydride anion -242.979621 -242.979617 -0.000004
CH3NO3 Methyl nitrate -320.209291 -320.209295 0.000004
C2H6 Ethane -79.864711 -79.864715 0.000004
CH3SOCH3 Dimethyl sulfoxide -553.186932 -553.186936 0.000004
C3H5 Allyl radical -117.246218 -117.246214 -0.000004
C2H6 Ethane -79.864336 -79.864340 0.000004
CH3PH2 Methyl phosphine -382.513157 -382.513153 -0.000004
HBS hydrogen boron sulfide -423.698859 -423.698863 0.000004
BH4- borohydride anion -27.247118 -27.247114 -0.000004
Si2- silcon dimer anion -578.983147 -578.983143 -0.000004
BeCO3 Beryllium Carbonate -278.617085 -278.617081 -0.000004
CHOCHCHCH3 2-Butenal -231.325364 -231.325360 -0.000004
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- -556.640081 -556.640084 0.000004
CH3NH2 methyl amine -95.899979 -95.899975 -0.000004
CH3NH2 methyl amine -95.899979 -95.899975 -0.000004
C- Carbon atom anion -37.846471 -37.846467 -0.000004
BeO beryllium oxide -89.900370 -89.900366 -0.000004
BeO beryllium oxide -89.900370 -89.900366 -0.000004
C5H10O 2-methylbutyraldehyde -271.873192 -271.873188 -0.000004
BF- Boron monofluoride anion -124.576470 -124.576466 -0.000004
OH Hydroxyl radical -16.478852 -16.478856 0.000004
OH Hydroxyl radical -16.478852 -16.478856 0.000004
C3H5 Allyl radical -117.246105 -117.246101 -0.000004
C5H6 1,3-Cyclopentadiene -194.119816 -194.119812 -0.000004
C5H6 1,3-Cyclopentadiene -194.119816 -194.119812 -0.000004
HCCl Chloromethylene -498.757000 -498.756996 -0.000004
CH3OH- Methyl alcohol anion -115.759296 -115.759292 -0.000004
BH4 borohydride -27.145674 -27.145678 0.000004
NH2CN cyanamide -148.808546 -148.808550 0.000004
SCl2 Sulfur dichloride -1318.634791 -1318.634795 0.000004
SCl2 Sulfur dichloride -1318.634791 -1318.634795 0.000004
CCl3 Trichloromethyl radical -1418.756896 -1418.756893 -0.000004
CH2CCHCH3 1,2-Butadiene -155.975817 -155.975821 0.000004
CH3CONH2 Acetamide -209.212203 -209.212199 -0.000004
CH4+ Methane cation -40.005233 -40.005229 -0.000004
Cl Chlorine atom -460.158468 -460.158464 -0.000004
CH3OCHO methyl formate -229.156167 -229.156163 -0.000004
C4H6O Furan, 2,5-dihydro- -231.309057 -231.309053 -0.000004
Ti Titanium atom -849.290107 -849.290110 0.000004
NaS Sodium sulfide -560.527929 -560.527933 0.000004
CS2 Carbon disulfide -834.488872 -834.488868 -0.000004
CF3OF Trifluoromethylhypofluorite -512.719986 -512.719982 -0.000004
CF3OF Trifluoromethylhypofluorite -512.719986 -512.719982 -0.000004
BH4 borohydride -27.150498 -27.150502 0.000004
Li3N trilithium nitride -77.303835 -77.303839 0.000004
OCS+ Carbonyl sulfide cation -511.125658 -511.125654 -0.000004
PH- phosphorus monohydride anion -341.951197 -341.951200 0.000004
CH3CH(CH3)CH3 Isobutane -158.458805 -158.458809 0.000004
CH3CH(CH3)CH3 Isobutane -158.458805 -158.458809 0.000004
C2H5- Ethyl anion -79.167877 -79.167873 -0.000004
NaS Sodium sulfide -560.529447 -560.529450 0.000004
C3H3N2- imidizolyl anion -225.628588 -225.628592 0.000004
CH2NN diazomethane -148.801573 -148.801577 0.000004
CH3OCH2CN Methoxyacetonitrile -247.260453 -247.260449 -0.000004
Al2H6 dialane -488.485691 -488.485687 -0.000004
B Boron atom -24.652810 -24.652814 0.000004
Si Silicon atom -289.388655 -289.388651 -0.000004
HOF Hypofluorous acid -175.546294 -175.546298 0.000004
TiH Titanium monohydride -849.912782 -849.912778 -0.000004
CSe2 Carbon diselenide -4818.320115 -4818.320111 -0.000004
CH2NH Methanimine -94.627215 -94.627219 0.000004
CF3OF Trifluoromethylhypofluorite -512.599208 -512.599205 -0.000004
CF3OF Trifluoromethylhypofluorite -512.599208 -512.599205 -0.000004
LiC Lithium Carbide -45.445994 -45.445997 0.000004
LiCN lithium cyanide -100.399095 -100.399092 -0.000004
SiH Silylidyne -290.007515 -290.007511 -0.000004
SiH Silylidyne -290.011437 -290.011433 -0.000004
SiH Silylidyne -290.011437 -290.011433 -0.000004
CFCl3 Trichloromonofluoromethane -1518.680180 -1518.680184 0.000004
AlF Aluminum monofluoride -342.407404 -342.407408 0.000004
C Carbon atom -37.642693 -37.642696 0.000004
C Carbon atom -37.642693 -37.642696 0.000004
SiH Silylidyne -290.007515 -290.007511 -0.000004
CHF2Cl difluorochloromethane -698.715733 -698.715736 0.000004
F2SO Thionyl Fluoride -673.229940 -673.229936 -0.000004
N- Nitrogen atom anion -54.610768 -54.610764 -0.000004
NO- nitric oxide anion -129.865755 -129.865751 -0.000004
C4H4N2 Succinonitrile -264.399015 -264.399011 -0.000004
Li2S dilithium sulfide -413.333470 -413.333474 0.000004
C3H4N2 1H-Pyrazole -226.284616 -226.284612 -0.000004
C6H4 Benzyne -230.909948 -230.909944 -0.000004
HOCHNH hydroxymethylimine -169.878471 -169.878474 0.000004
SiC silicon monocarbide -327.372240 -327.372237 -0.000004
CH3NO3 Methyl nitrate -320.189438 -320.189442 0.000004
CF3CHO trifluoroacetaldehyde -451.534004 -451.534008 0.000004
HOF Hypofluorous acid -175.522486 -175.522482 -0.000004
FNO Nitrosyl fluoride -229.808677 -229.808674 -0.000004
AlO- Aluminum monoxide anion -317.692696 -317.692693 -0.000004
CF3OH trifluoromethanol -413.457255 -413.457259 0.000004
CH3CH2CH2CN Butanenitrile -211.465227 -211.465230 0.000004
SiH Silylidyne -289.991429 -289.991425 -0.000004
SiH Silylidyne -289.991429 -289.991425 -0.000004
C6H4O2 parabenzoquinone -381.597827 -381.597823 -0.000004
HCCl Chloromethylene -498.782946 -498.782942 -0.000004
BH4 borohydride -27.162441 -27.162445 0.000004
NH2NO Nitrosamide -185.897993 -185.897990 -0.000004
HNS HNS -453.529642 -453.529639 -0.000004
C4H9NO Propanamide, 2-methyl- -287.841027 -287.841023 -0.000004
PH2+ Phosphino cation -342.140088 -342.140091 0.000004
N2O4 Dinitrogen tetroxide -410.342552 -410.342556 0.000004
NaS Sodium sulfide -560.529348 -560.529351 0.000004
C4H5N (E)-2-Butenenitrile -210.235723 -210.235726 0.000004
SiF2+ Silicon difluoride cation -488.946928 -488.946932 0.000004
C2H6N2O Urea, methyl- -264.567956 -264.567960 0.000004
C5H4N4 purine -412.095350 -412.095346 -0.000004
NaH+ sodium hydride cation -162.596783 -162.596786 0.000004
AlH2 aluminum dihydride -243.566409 -243.566413 0.000004
AlH2 aluminum dihydride -243.566409 -243.566413 0.000004
CO Carbon monoxide -21.559737 -21.559734 -0.000004
CO Carbon monoxide -21.559737 -21.559734 -0.000004
IF Iodine monofluoride -35.572894 -35.572890 -0.000004
BH4 borohydride -27.149192 -27.149196 0.000004
S Sulfur atom -10.038445 -10.038448 0.000004
S Sulfur atom -10.038445 -10.038448 0.000004
H2S+ Hydrogen sulfide cation -399.048899 -399.048896 -0.000004
NaH+ sodium hydride cation -162.596783 -162.596786 0.000004
F2SO Thionyl Fluoride -673.221053 -673.221049 -0.000004
CF3COF trifluoroacetyl fluoride -550.788325 -550.788329 0.000004
CF3COF trifluoroacetyl fluoride -550.788325 -550.788329 0.000004
HNO2 Nitrous acid -205.715013 -205.715017 0.000004
NS+ nitrogen sulfide cation -452.584449 -452.584446 -0.000004
Li2S dilithium sulfide -413.336785 -413.336789 0.000004
CH3NH2 methyl amine -95.853209 -95.853205 -0.000004
CH3NH2 methyl amine -95.853209 -95.853205 -0.000004
CH3NH2 methyl amine -95.853209 -95.853205 -0.000004
CH3NH2 methyl amine -95.853209 -95.853205 -0.000004
CH3NHCH3 Dimethylamine -135.162852 -135.162855 0.000004
NH2NO Nitrosamide -185.843656 -185.843652 -0.000004
SiH2 silicon dihydride -290.630140 -290.630136 -0.000004
NH3NH3 Ammonia Dimer -113.103295 -113.103299 0.000004
NH3NH3 Ammonia Dimer -113.103295 -113.103299 0.000004
SiH3- Silyl anion -291.271842 -291.271838 -0.000004
NH3NH3 Ammonia Dimer -113.103295 -113.103299 0.000004
LiCN lithium cyanide -100.424066 -100.424070 0.000004
SiH2Cl2 dichlorosilane -1211.257082 -1211.257078 -0.000004
NH2CN cyanamide -148.791551 -148.791555 0.000004
Cl Chlorine atom -14.896059 -14.896063 0.000004
NaBr- sodium bromide anion -2736.653140 -2736.653144 0.000004
BH4 borohydride -27.149584 -27.149588 0.000004
SiH3 Silyl radical -291.256399 -291.256403 0.000004
TiO2 Titanium dioxide -999.968876 -999.968872 -0.000004
SiH Silylidyne -289.989800 -289.989797 -0.000004
SiH Silylidyne -289.989800 -289.989797 -0.000004
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.678359 -638.678355 -0.000004
C3H5Cl 1-chloro-1-propene(Z) -577.505510 -577.505506 -0.000004
NH3NH3 Ammonia Dimer -113.103295 -113.103299 0.000004
CH2CHNH vinylazine -133.353854 -133.353851 -0.000004
H2OHCOOH Water formic acid dimer 1 -266.315132 -266.315129 -0.000004
CH3CHNH ethanimine -134.010853 -134.010849 -0.000004
BAl Boron Aluminum -265.626018 -265.626015 -0.000004
HCl Hydrogen chloride -460.795700 -460.795696 -0.000004
DCl Hydrochloric acid-d -460.795700 -460.795696 -0.000004
N2H4+ hydrazine cation -111.630352 -111.630356 0.000004
C4H4N pyrrolide radical -209.537314 -209.537318 0.000004
CCl2 dichloromethylene -958.477495 -958.477492 -0.000004
B2H6 Diborane -53.312041 -53.312038 -0.000004
NH3NH3 Ammonia Dimer -113.103295 -113.103299 0.000004
NH3NH3 Ammonia Dimer -113.103295 -113.103299 0.000004
NH3NH3 Ammonia Dimer -113.103295 -113.103299 0.000004
Si2 Silicon diatomic -578.911822 -578.911825 0.000004
C2H5NH+ Protonated Aziridine -133.547549 -133.547545 -0.000004
NO3- nitrate anion -280.481790 -280.481786 -0.000004
CH3COC6H5 acetophenone -384.895988 -384.895984 -0.000004
CCl3- Trichloromethyl anion -1418.690914 -1418.690910 -0.000004
CH2CHNH vinylazine -133.351019 -133.351015 -0.000004
SSO Disulfur monoxide -871.564686 -871.564682 -0.000004
ClF3 Chlorine trifluoride -759.630026 -759.630022 -0.000004
O2 Oxygen diatomic -150.314740 -150.314736 -0.000004
O2 Oxygen diatomic -150.314740 -150.314736 -0.000004
CH2PH H2CPH -381.271495 -381.271499 0.000004
Al2 Aluminum diatomic -484.780176 -484.780173 -0.000004
Al2 Aluminum diatomic -484.780176 -484.780173 -0.000004
Al2 Aluminum diatomic -484.780176 -484.780173 -0.000004
Al2 Aluminum diatomic -484.780176 -484.780173 -0.000004
CP+ carbon monophosphide cation -378.897895 -378.897891 -0.000004
BH4 borohydride -27.162677 -27.162681 0.000004
C2H4N4 1H-Tetrazole, 1-methyl- -297.567464 -297.567460 -0.000004
HFCO+ formyl fluoride cation -212.144755 -212.144758 0.000004
NH2NO Nitrosamide -185.850169 -185.850166 -0.000004
NaCN Sodium Cyanide -255.169572 -255.169576 0.000004
O2 Oxygen diatomic -150.315318 -150.315314 -0.000004
O2 Oxygen diatomic -150.315318 -150.315314 -0.000004
BF Boron monofluoride -124.712408 -124.712405 -0.000004
NO Nitric oxide -129.147722 -129.147718 -0.000004
NO Nitric oxide -129.147722 -129.147718 -0.000004
NO Nitric oxide -129.147722 -129.147718 -0.000004
NO Nitric oxide -129.147722 -129.147718 -0.000004
CH2NH Methanimine -94.671996 -94.672000 0.000004
CHCl2 dichloromethyl radical -959.099637 -959.099633 -0.000004
BH4 borohydride -26.987718 -26.987722 0.000004
NH3COOH+ protonated Carbamic acid -245.469266 -245.469270 0.000004
C4H7NO Ethoxyacetonitrile -286.614969 -286.614966 -0.000004
C5H8O Methyl cyclopropyl ketone -270.607562 -270.607566 0.000004
N2H4+ hydrazine cation -111.591686 -111.591690 0.000004
CH5N3 Guanidine -205.466224 -205.466228 0.000004
CH2NOH formaldoxime -169.854550 -169.854547 -0.000004
CH3NH2 methyl amine -95.863690 -95.863687 -0.000004
CH3NH2 methyl amine -95.863690 -95.863687 -0.000004
CH2PH H2CPH -381.271495 -381.271499 0.000004
H2S Hydrogen sulfide -399.437263 -399.437259 -0.000004
C5H10 2-Butene, 2-methyl- -196.564433 -196.564430 -0.000004
CO Carbon monoxide -113.095063 -113.095059 -0.000004
H3CO3+ carbonic acid, protonated -265.426234 -265.426238 0.000004
SiO+ silicon monoxide cation -364.364346 -364.364343 -0.000004
SO Sulfur monoxide -473.384882 -473.384886 0.000004
CHCl2 dichloromethyl radical -954.402194 -954.402198 0.000004
C3H5 Allyl radical -117.246218 -117.246214 -0.000004
MgF+ magnesium fluoride cation -299.727855 -299.727852 -0.000004
CH2NCH3 N-methylmethanimine -133.997326 -133.997322 -0.000004
C2H6 Ethane -79.818874 -79.818877 0.000004
C2H4N2O2 Oxalamide -338.601301 -338.601298 -0.000004
C5H5 cyclopentadienyl radical -193.533477 -193.533473 -0.000004
MgF+ magnesium fluoride cation -299.727855 -299.727852 -0.000004
CH2CCH2 allene -116.657673 -116.657676 0.000004
BF Boron monofluoride -124.712408 -124.712405 -0.000004
C2H6 Ethane -79.818872 -79.818876 0.000004
C4H3ClO Furan, 2-chloro -689.717407 -689.717404 -0.000004
C3H5 Allyl radical -117.246105 -117.246101 -0.000004
C6H4F2 orthodifluorobenzene -430.883450 -430.883446 -0.000004
VO Vanadium monoxide -1019.267563 -1019.267567 0.000004
C6H8 (Z)-hexa-2,3,4-triene -233.369900 -233.369904 0.000004
NaS Sodium sulfide -560.478339 -560.478335 -0.000004
OH Hydroxyl radical -16.493225 -16.493229 0.000004
OH Hydroxyl radical -16.493225 -16.493229 0.000004
NO- nitric oxide anion -129.810172 -129.810168 -0.000004
CHCl2 dichloromethyl radical -959.087984 -959.087988 0.000004
C3H6O 2-Propen-1-ol -193.192805 -193.192802 -0.000004
LiCN lithium cyanide -100.411590 -100.411586 -0.000004
SiC- silicon monocarbide anion -327.496675 -327.496671 -0.000004
CaH+ Calcium monohydride cation -677.953038 -677.953034 -0.000004
C3H7N Cyclopropylamine -173.240289 -173.240285 -0.000004
AlF3 Aluminum trifluoride -74.717839 -74.717842 0.000004
AlF3 Aluminum trifluoride -74.717839 -74.717842 0.000004
NH2NO Nitrosamide -185.929581 -185.929577 -0.000004
BF Boron monofluoride -124.697863 -124.697860 -0.000004
BF Boron monofluoride -124.697863 -124.697860 -0.000004
C3H3N2 imidazolyl radical -225.629971 -225.629968 -0.000004
C4H4S Thiophene -553.098192 -553.098189 -0.000004
BS+ boron monosulfide cation -422.592876 -422.592880 0.000004
CH3NH2 methyl amine -95.903414 -95.903410 -0.000004
Ar Argon atom -525.182855 -525.182852 -0.000004
CH3CH(CH3)CH3 Isobutane -158.521937 -158.521933 -0.000004
SiH Silylidyne -290.006062 -290.006058 -0.000004
SiH Silylidyne -290.006062 -290.006058 -0.000004
CF2 Difluoromethylene -237.792863 -237.792859 -0.000004
CH3NH2 methyl amine -95.903414 -95.903410 -0.000004
CH3CH(CH3)CH3 Isobutane -158.521937 -158.521933 -0.000004
C2H6+ ethane cation -79.408787 -79.408783 -0.000004
C4H3ClO Furan, 2-chloro -689.650034 -689.650037 0.000004
PH3+ Phosphine cation -342.780515 -342.780511 -0.000004
SF2- sulfur difluoride anion -597.914720 -597.914723 0.000004
C5H8 1,3-Pentadiene, (E)- -195.389485 -195.389481 -0.000004
H2POH Phosphinous acid -418.453444 -418.453441 -0.000004
CH2N4 1H-Tetrazole -258.336552 -258.336549 -0.000004
Ti Titanium atom -849.291801 -849.291805 0.000004
BeOH beryllium hydroxide -90.618822 -90.618818 -0.000004
FCO+ Carbonyl fluoride cation -212.778617 -212.778613 -0.000004
C6H8 (E)-hexa-1,3,5-triene -233.492530 -233.492533 0.000004
SiH Silylidyne -290.010006 -290.010002 -0.000004
CH2ClCHO chloroacetaldehyde -613.417799 -613.417796 -0.000004
NaF sodium fluoride -260.592607 -260.592604 -0.000004
NaF sodium fluoride -260.592607 -260.592604 -0.000004
BH4 borohydride -27.160364 -27.160367 0.000004
NS- nitrogen sulfide anion -452.974176 -452.974172 -0.000004
NF- nitrogen monofluorine anion -154.516827 -154.516823 -0.000004
CH3PH2 Methyl phosphine -382.512331 -382.512328 -0.000004
CH3CH2COOH Propanoic Acid -268.416088 -268.416085 -0.000004
NaH sodium hydride -162.871413 -162.871417 0.000004
LiN+ Lithium Nitride cation -61.878659 -61.878656 -0.000004
Si Silicon atom -289.388655 -289.388652 -0.000004
B2H6 Diborane -53.311679 -53.311675 -0.000004
CH2OOH CH2OOH -190.181725 -190.181722 -0.000004
P2 Phosphorus diatomic -682.727634 -682.727638 0.000004
P2 Phosphorus diatomic -682.727634 -682.727638 0.000004
NH3NH3 Ammonia Dimer -113.146119 -113.146122 0.000004
C5H4O2 furfural -343.481857 -343.481860 0.000004
Ti Titanium atom -849.291228 -849.291231 0.000004
BH4 borohydride -27.143686 -27.143690 0.000003
AlO Aluminum monoxide -317.611324 -317.611327 0.000003
AlO Aluminum monoxide -317.611324 -317.611327 0.000003
NaLi lithium sodium -169.818538 -169.818541 0.000003
SiS silicon monosulfide -687.759703 -687.759707 0.000003
PH3+ Phosphine cation -342.819169 -342.819165 -0.000003
SiN+ silicon mononitride cation -343.746790 -343.746787 -0.000003
Se Selenium atom -2399.461658 -2399.461655 -0.000003
C3H4O2S 2H-Thiete-1,1-dioxide -665.239747 -665.239751 0.000003
C2HF3+ Trifluoroethylene cation -375.923032 -375.923028 -0.000003
AlC Aluminum carbide -280.370905 -280.370909 0.000003
C2H6 Ethane -79.838691 -79.838694 0.000003
C3H5Cl 1-chloro-1-propene(Z) -577.592120 -577.592116 -0.000003
NaH sodium hydride -162.871413 -162.871417 0.000003
FCO Carbonyl fluoride -213.094755 -213.094752 -0.000003
FCO Carbonyl fluoride -213.094755 -213.094752 -0.000003
C2H2N4 sym-tetrazine -296.428586 -296.428589 0.000003
Na2+ sodium dimer cation -324.432679 -324.432682 0.000003
AlC Aluminum carbide -280.371792 -280.371796 0.000003
H2O3 Hydrogen trioxide -226.702555 -226.702558 0.000003
HCS+ Thioformyl cation -436.520711 -436.520708 -0.000003
C6N4 Tetracyanoethylene -447.518338 -447.518342 0.000003
C4H10O Propane, 2-methoxy- -233.657606 -233.657610 0.000003
NH2CN cyanamide -148.842270 -148.842273 0.000003
B Boron atom -24.659794 -24.659797 0.000003
NH3NH3 Ammonia Dimer -113.173002 -113.173006 0.000003
AlP Aluminum monophosphide -583.713773 -583.713769 -0.000003
CH2CHCHClCH3 1-Butene, 3-chloro- -616.918190 -616.918187 -0.000003
CH3COCH2CH3 2-Butanone -232.470559 -232.470556 -0.000003
AlH3+ aluminum trihydride cation -243.815580 -243.815577 -0.000003
HCl Hydrogen chloride -460.847817 -460.847821 0.000003
HCl Hydrogen chloride -460.825083 -460.825086 0.000003
HCCl Chloromethylene -498.796136 -498.796139 0.000003
SiH3 Silyl radical -291.255899 -291.255902 0.000003
H2OH2O water dimer -152.830332 -152.830336 0.000003
C5H7N (E)-3-Pentenenitrile -249.560389 -249.560392 0.000003
NH3O Ammonia Oxide -131.742610 -131.742607 -0.000003
SH Mercapto radical -398.768974 -398.768970 -0.000003
CH2BOH hydroxy(methylene)borane -139.204957 -139.204960 0.000003
CH3COF Acetyl fluoride -253.198296 -253.198293 -0.000003
PO2+ Phosphorus dioxide cation -491.483291 -491.483295 0.000003
ScH3 Scandium trihydride -758.732984 -758.732988 0.000003
PH phosphorus monohydride -341.823868 -341.823872 0.000003
HCl Hydrogen chloride -460.848179 -460.848182 0.000003
SiC+ silicon monocarbide cation -326.988325 -326.988321 -0.000003
Be Beryllium atom -14.583838 -14.583841 0.000003
Be Beryllium atom -14.583838 -14.583841 0.000003
HNS HNS -453.463228 -453.463225 -0.000003
AlF3 Aluminum trifluoride -74.707906 -74.707909 0.000003
AlF3 Aluminum trifluoride -74.707906 -74.707909 0.000003
CH2CHNH vinylazine -133.320995 -133.320992 -0.000003
NH3NH3 Ammonia Dimer -113.116430 -113.116433 0.000003
C2H4O3 1,2,3-trioxolane -304.219674 -304.219678 0.000003
NaMg Sodium Magnesium -362.398999 -362.399002 0.000003
NaH sodium hydride -162.870976 -162.870980 0.000003
SiP- Silicon monophosphide anion -630.857151 -630.857147 -0.000003
ScH Scandium monohydride -761.203840 -761.203836 -0.000003
N2H4+ hydrazine cation -111.629377 -111.629381 0.000003
COFCl Carbonic chloride fluoride -673.493644 -673.493647 0.000003
NH2CN cyanamide -148.778554 -148.778558 0.000003
NH2CN cyanamide -148.778554 -148.778558 0.000003
NH2COOH Carbamic acid -245.156028 -245.156031 0.000003
CH3CH2CH2CH3 Butane -158.458047 -158.458044 -0.000003
AlF2Cl Aluminum chloride difluoride -902.550023 -902.550026 0.000003
ClCO carbonyl monochloride -573.508984 -573.508981 -0.000003
C2H6O2 1,2-Ethanediol -230.345516 -230.345519 0.000003
C4H2N2 Fumaronitrile -263.165958 -263.165954 -0.000003
N2H4+ hydrazine cation -111.625512 -111.625515 0.000003
CH3CCH propyne -116.704908 -116.704905 -0.000003
C2H5F fluoroethane -179.080110 -179.080106 -0.000003
C3H6O2 1,3-Dioxolane -268.344094 -268.344091 -0.000003
SiH3 Silyl radical -291.255899 -291.255902 0.000003
CH3CHNH ethanimine -133.952468 -133.952472 0.000003
Br- Bromine atom anion -2574.318387 -2574.318390 0.000003
CF3CH2F 1,1,1,2-tetrafluoroethane -476.984135 -476.984132 -0.000003
C2H6 Ethane -79.870535 -79.870538 0.000003
O2+ diatomic oxygen cation -149.919046 -149.919043 -0.000003
O2+ diatomic oxygen cation -149.919046 -149.919043 -0.000003
CH3CHOH+ acetaldehyde, protonated -154.202240 -154.202237 -0.000003
Cl2 Chlorine diatomic -920.424671 -920.424675 0.000003
Cl2 Chlorine diatomic -920.424671 -920.424675 0.000003
Cl2 Chlorine diatomic -920.424671 -920.424675 0.000003
CH3CHCl2 Ethane, 1,1-dichloro- -999.016511 -999.016507 -0.000003
CHClCCl2 Trichloroethylene -1457.365681 -1457.365684 0.000003
FCO+ Carbonyl fluoride cation -212.768660 -212.768657 -0.000003
N2H2 (Z)-Diazene -110.654528 -110.654531 0.000003
C4H10O2 1,1-Dimethoxyethane -308.990986 -308.990989 0.000003
CH3CH2CH2CH3 Butane -158.456714 -158.456717 0.000003
B Boron atom -24.660137 -24.660140 0.000003
CH3CH2CH2CN Butanenitrile -211.392606 -211.392609 0.000003
CH3CHOH+ acetaldehyde, protonated -154.203652 -154.203648 -0.000003
HCl Hydrogen chloride -460.843036 -460.843039 0.000003
HCl Hydrogen chloride -460.823981 -460.823984 0.000003
AlH2+ aluminum dihydride cation -243.303388 -243.303385 -0.000003
NaH sodium hydride -162.870976 -162.870980 0.000003
C4H2N2 Fumaronitrile -263.169039 -263.169036 -0.000003
CH3CH2CH2CN Butanenitrile -211.433230 -211.433233 0.000003
NaCN Sodium Cyanide -255.158212 -255.158215 0.000003
HCF Fluoromethylene -138.380563 -138.380559 -0.000003
COHCl Formyl chloride -574.206226 -574.206223 -0.000003
CH3CH2CH2CN Butanenitrile -211.382906 -211.382909 0.000003
SiF3+ Silicon trifluoride cation -588.805531 -588.805527 -0.000003
C4H5N Pyrrole -210.165891 -210.165894 0.000003
C4H6 Cyclobutene -156.031637 -156.031641 0.000003
O2 Oxygen diatomic -150.364791 -150.364788 -0.000003
O2 Oxygen diatomic -150.364791 -150.364788 -0.000003
MgF+ magnesium fluoride cation -299.708637 -299.708633 -0.000003
MgF+ magnesium fluoride cation -299.708637 -299.708633 -0.000003
SiCl3 trichlorosilyl radical -1670.334947 -1670.334943 -0.000003
O2 Oxygen diatomic -150.364791 -150.364788 -0.000003
O2 Oxygen diatomic -150.364791 -150.364788 -0.000003
C2H6 Ethane -79.862334 -79.862337 0.000003
CNOH3 1,2-oxaziridine -168.825855 -168.825852 -0.000003
B2H6 Diborane -53.288287 -53.288284 -0.000003
SO Sulfur monoxide -473.430120 -473.430123 0.000003
OClO Chlorine dioxide -610.417267 -610.417270 0.000003
OClO Chlorine dioxide -610.417267 -610.417270 0.000003
CH2BOH hydroxy(methylene)borane -139.976036 -139.976039 0.000003
C3H6O 2-Propen-1-ol -193.158101 -193.158098 -0.000003
NH2NO Nitrosamide -185.924068 -185.924065 -0.000003
C2H6 Ethane -79.812736 -79.812739 0.000003
Br+ Bromine atom cation -2573.748987 -2573.748991 0.000003
SiS2 Silicon disulfide -1085.986242 -1085.986239 -0.000003
CH3CHOH+ acetaldehyde, protonated -154.159247 -154.159244 -0.000003
AlP Aluminum monophosphide -580.661147 -580.661150 0.000003
AlF3 Aluminum trifluoride -542.284185 -542.284188 0.000003
AlF3 Aluminum trifluoride -542.284185 -542.284188 0.000003
AlF3 Aluminum trifluoride -542.284185 -542.284188 0.000003
AlF3 Aluminum trifluoride -542.284185 -542.284188 0.000003
CHF2CHF2 1,1,2,2-tetrafluoroethane -476.760482 -476.760485 0.000003
C2H6 Ethane -79.870782 -79.870785 0.000003
CH3COOCH3 methyl acetate -268.495799 -268.495802 0.000003
C2H6 Ethane -79.848177 -79.848180 0.000003
NH2CN cyanamide -148.797037 -148.797040 0.000003
NNS Nitrogen sulfide -507.692564 -507.692567 0.000003
AlN- aluminum mononitride anion -297.159730 -297.159727 -0.000003
C Carbon atom -5.406072 -5.406069 -0.000003
CH3CHNH ethanimine -134.008109 -134.008105 -0.000003
NH2COOH2+ Carbamic acid, O-protonated -245.523656 -245.523653 -0.000003
SO Sulfur monoxide -473.430120 -473.430123 0.000003
NaS Sodium sulfide -560.506394 -560.506397 0.000003
HOCH hydroxycarbene -114.409137 -114.409134 -0.000003
C6H6O 2,5-Cyclohexadienone -307.551979 -307.551976 -0.000003
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- -1659.363507 -1659.363504 -0.000003
DS Mercapto-d -398.740027 -398.740023 -0.000003
CH3OO- methylperoxy anion -190.337269 -190.337266 -0.000003
SiS2 Silicon disulfide -1086.018076 -1086.018073 -0.000003
C2H6 Ethane -79.836079 -79.836082 0.000003
HCl Hydrogen chloride -460.823981 -460.823984 0.000003
BF Boron monofluoride -124.716386 -124.716382 -0.000003
C2H6 Ethane -79.841641 -79.841645 0.000003
HO2 Hydroperoxy radical -150.968749 -150.968746 -0.000003
Cl2 Chlorine diatomic -920.435245 -920.435248 0.000003
Li3N trilithium nitride -77.298386 -77.298389 0.000003
Li3N trilithium nitride -77.298386 -77.298389 0.000003
C2H6 Ethane -79.861550 -79.861553 0.000003
CH2NOH formaldoxime -169.829407 -169.829404 -0.000003
C4H8 cyclobutane -157.224450 -157.224447 -0.000003
C4H8 cyclobutane -157.224450 -157.224447 -0.000003
Na2Cl2 Disodium dichloride -1245.311582 -1245.311579 -0.000003
C6H12 (Z)-hex-3-ene -235.942270 -235.942266 -0.000003
HO2+ Hydroperoxy cation -150.530230 -150.530227 -0.000003
HCl Hydrogen chloride -460.844264 -460.844267 0.000003
NH2CN cyanamide -148.785774 -148.785778 0.000003
C4F6 perfluorobutadiene -751.358818 -751.358815 -0.000003
OCS+ Carbonyl sulfide cation -511.208222 -511.208219 -0.000003
ScH3 Scandium trihydride -762.464044 -762.464041 -0.000003
SH+ sulfur monohydride cation -398.396235 -398.396232 -0.000003
F+ Fluorine atom cation -97.751977 -97.751980 0.000003
ClCO carbonyl monochloride -573.497483 -573.497480 -0.000003
N2O- Nitrous oxide anion -184.738522 -184.738519 -0.000003
C3H3NO Isoxazole -246.126055 -246.126058 0.000003
CHOCHCHCH3 2-Butenal -231.328847 -231.328844 -0.000003
NH2COOH2+ Carbamic acid, O-protonated -245.507788 -245.507785 -0.000003
BF Boron monofluoride -124.714719 -124.714716 -0.000003
C3H6O 2-Propen-1-ol -193.200260 -193.200256 -0.000003
C5H8O Methyl cyclopropyl ketone -270.567635 -270.567638 0.000003
C3H2O2 Propiolic acid -266.011584 -266.011587 0.000003
DCl Hydrochloric acid-d -460.844264 -460.844267 0.000003
CH2CHCHCH2 1,3-Butadiene -155.992143 -155.992140 -0.000003
FCO Carbonyl fluoride -213.189048 -213.189044 -0.000003
Cl Chlorine atom -460.168403 -460.168406 0.000003
C2H6 Ethane -79.838739 -79.838742 0.000003
TiO2 Titanium dioxide -999.898263 -999.898260 -0.000003
CHFCl2 fluorodichloromethane -1058.922840 -1058.922837 -0.000003
CH2CHCHCH2 1,3-Butadiene -156.010641 -156.010645 0.000003
Al2+ aluminum dimer cation -484.613913 -484.613916 0.000003
C6H3F3 Benzene trifluoride 123 -530.143802 -530.143805 0.000003
C6H6O 2,5-Cyclohexadienone -307.466798 -307.466795 -0.000003
H2S+ Hydrogen sulfide cation -399.004264 -399.004261 -0.000003
CO2 Carbon dioxide -187.523637 -187.523634 -0.000003
C3H5 Allyl radical -117.236386 -117.236382 -0.000003
C3H5 Allyl radical -117.236386 -117.236382 -0.000003
PH2- Phosphino anion -342.528607 -342.528610 0.000003
NS- nitrogen sulfide anion -452.974175 -452.974172 -0.000003
CH3NHCH3 Dimethylamine -135.219966 -135.219969 0.000003
N2H4 Hydrazine -111.915860 -111.915857 -0.000003
C3H3N+ acrylonitrile cation -170.508227 -170.508224 -0.000003
BHF2 Difluoroborane -225.345170 -225.345173 0.000003
C3H6S Thiirane, methyl- -516.184183 -516.184187 0.000003
BeCl- beryllium monochloride anion -474.971942 -474.971945 0.000003
SO3+ Sulfur trioxide cation -623.454856 -623.454853 -0.000003
CH2NOH formaldoxime -169.883485 -169.883482 -0.000003
BeOH beryllium hydroxide -90.584146 -90.584143 -0.000003
HO2- Hydroperoxy anion -150.886985 -150.886988 0.000003
C6H10 1,4-Hexadiene, (E)- -234.710351 -234.710347 -0.000003
NaBe Sodium Beryllium -176.980479 -176.980482 0.000003
CH3SiH3 methyl silane -331.262668 -331.262672 0.000003
N2H2 (Z)-Diazene -110.681163 -110.681166 0.000003
PH phosphorus monohydride -341.860389 -341.860392 0.000003
BeF2 Beryllium fluoride -214.628909 -214.628912 0.000003
B Boron atom -24.662655 -24.662658 0.000003
C3H4O Cyclopropanone -191.880739 -191.880742 0.000003
C3H4O Cyclopropanone -191.880739 -191.880742 0.000003
AlH+ aluminum monohydride cation -242.705029 -242.705032 0.000003
CH2NN diazomethane -148.799190 -148.799193 0.000003
BF Boron monofluoride -124.624281 -124.624278 -0.000003
C2H6 Ethane -79.829286 -79.829290 0.000003
C4F4 tetrafluorcyclobutadiene -551.671026 -551.671023 -0.000003
HNO3 Nitric acid -281.000727 -281.000724 -0.000003
CH3PH2 Methyl phosphine -382.457778 -382.457775 -0.000003
CH2PH H2CPH -381.272574 -381.272577 0.000003
C4H3ClO Furan,3-chloro -689.650100 -689.650097 -0.000003
H2CCCCH2 Butatriene -154.730753 -154.730756 0.000003
HOCHCCHOH allenediol -267.210984 -267.210987 0.000003
BeO beryllium oxide -89.900369 -89.900366 -0.000003
BeO beryllium oxide -89.900369 -89.900366 -0.000003
CHCl2 dichloromethyl radical -959.127040 -959.127037 -0.000003
BAl Boron Aluminum -267.115269 -267.115265 -0.000003
PH phosphorus monohydride -341.910551 -341.910554 0.000003
C4H8 cyclobutane -157.267896 -157.267892 -0.000003
CP Carbon monophosphide -379.293271 -379.293268 -0.000003
CHClCHCl Ethene, 1,2-dichloro-, (Z)- -997.888029 -997.888026 -0.000003
CH2CHCHCH2 1,3-Butadiene -155.986488 -155.986485 -0.000003
HSO3F Fluorosulfonic acid -724.433681 -724.433684 0.000003
CF+ carbon monofluoride cation -137.489856 -137.489853 -0.000003
NH2- amino anion -55.933999 -55.934002 0.000003
C3H3N acrylonitrile -170.899488 -170.899485 -0.000003
CF3OF Trifluoromethylhypofluorite -509.788980 -509.788983 0.000003
CF3OF Trifluoromethylhypofluorite -509.788980 -509.788983 0.000003
CHCl2 dichloromethyl radical -959.128886 -959.128883 -0.000003
C4H6O Cyclobutanone -231.318944 -231.318947 0.000003
BHF2 Difluoroborane -225.348449 -225.348452 0.000003
TiO2 Titanium dioxide -999.898263 -999.898260 -0.000003
TiO2 Titanium dioxide -999.898263 -999.898260 -0.000003
C4H4N2 Pyridazine -264.304867 -264.304864 -0.000003
CH3CH(CH3)CN Propanenitrile, 2-methyl- -211.459575 -211.459571 -0.000003
PH+ phosphorus monohydride cation -341.536628 -341.536631 0.000003
CH2PH H2CPH -381.272574 -381.272577 0.000003
HNO3 Nitric acid -281.007118 -281.007114 -0.000003
BeCl beryllium chloride -474.956155 -474.956152 -0.000003
BeCl beryllium chloride -474.956155 -474.956152 -0.000003
CH2CHCH3 Propene -117.918628 -117.918625 -0.000003
C3H6S3 Carbonotrithioic acid, dimethyl ester -1312.497465 -1312.497462 -0.000003
C3H6S3 Carbonotrithioic acid, dimethyl ester -1312.497465 -1312.497462 -0.000003
C3H6S3 Carbonotrithioic acid, dimethyl ester -1312.497465 -1312.497462 -0.000003
C3H6S3 Carbonotrithioic acid, dimethyl ester -1312.497465 -1312.497462 -0.000003
C3H5 Allyl radical -117.260354 -117.260351 -0.000003
C3H5 Allyl radical -117.260354 -117.260351 -0.000003
C3H5 Allyl radical -117.260354 -117.260351 -0.000003
C3H5 Allyl radical -117.260354 -117.260351 -0.000003
C6H12 (E)-3-methylpent-2-ene -235.855791 -235.855794 0.000003
C3H4O2 Methyl glyoxal -267.188422 -267.188419 -0.000003
H2O3 Hydrogen trioxide -226.677977 -226.677980 0.000003
AlH4- Aluminum tetrahydride anion -244.888052 -244.888055 0.000003
NO3+ nitrogen trioxide cation -279.858271 -279.858274 0.000003
CH3OHH2O methanol water dimer -192.245634 -192.245631 -0.000003
H2OCH3OCH3 water dimethylether dimer -230.172249 -230.172252 0.000003
SiF2+ Silicon difluoride cation -488.878602 -488.878605 0.000003
C4H9NO Butanamide -287.963807 -287.963804 -0.000003
MgF+ magnesium fluoride cation -299.730977 -299.730974 -0.000003
MgF+ magnesium fluoride cation -299.730977 -299.730974 -0.000003
C3H5 Allyl radical -117.270873 -117.270870 -0.000003
SiCl3 trichlorosilyl radical -1670.180776 -1670.180773 -0.000003
Na2 Sodium diatomic -324.586694 -324.586697 0.000003
Na2 Sodium diatomic -324.586694 -324.586697 0.000003
HCl Hydrogen chloride -460.826070 -460.826073 0.000003
FCO Carbonyl fluoride -213.184809 -213.184806 -0.000003
H3PO Phosphine oxide -418.357718 -418.357715 -0.000003
C4H10O Ethanol, 1,1-dimethyl- -233.670958 -233.670955 -0.000003
C3H5 Allyl radical -117.270873 -117.270870 -0.000003
C6H5Cl chlorobenzene -691.967880 -691.967883 0.000003
ScH3 Scandium trihydride -762.465129 -762.465126 -0.000003
CH2CCHCH3 1,2-Butadiene -156.038282 -156.038285 0.000003
SiO2 silicon dioxide -440.038514 -440.038511 -0.000003
HCCl Chloromethylene -498.788737 -498.788740 0.000003
C4H2N2 Fumaronitrile -263.136114 -263.136111 -0.000003
NF nitrogen fluoride -154.429898 -154.429901 0.000003
MgF+ magnesium fluoride cation -299.730977 -299.730974 -0.000003
MgF+ magnesium fluoride cation -299.730977 -299.730974 -0.000003
HCl Hydrogen chloride -460.844011 -460.844014 0.000003
C4H8Cl2 Butane, 1,2-dichloro- -1077.786921 -1077.786918 -0.000003
B2H6 Diborane -53.297393 -53.297390 -0.000003
SiH3 Silyl radical -289.702693 -289.702690 -0.000003
Na2 Sodium diatomic -324.586912 -324.586915 0.000003
C3H3N acrylonitrile -170.897432 -170.897429 -0.000003
NH2COOH Carbamic acid -245.204860 -245.204863 0.000003
Na2 Sodium diatomic -324.586987 -324.586990 0.000003
SiS2 Silicon disulfide -1086.019238 -1086.019235 -0.000003
As+ Arsenic cation -2224.747765 -2224.747768 0.000003
N2O- Nitrous oxide anion -184.688951 -184.688948 -0.000003
Li3N trilithium nitride -77.325407 -77.325410 0.000003
C3H5 Allyl radical -117.268210 -117.268207 -0.000003
C3H5 Allyl radical -117.268210 -117.268207 -0.000003
C4H10O 1-Propanol, 2-methyl- -233.662764 -233.662767 0.000003
HCl Hydrogen chloride -460.822164 -460.822167 0.000003
LiC Lithium Carbide -45.437538 -45.437535 -0.000003
CH6N3+ guanidinium -205.759308 -205.759311 0.000003
HOCH2CH2NH2 monoethanolamine -210.483173 -210.483176 0.000003
C3H7NO dimethylformamide -248.512248 -248.512245 -0.000003
C3H7NO dimethylformamide -248.512248 -248.512245 -0.000003
C3H7NO dimethylformamide -248.512248 -248.512245 -0.000003
C3H7NO dimethylformamide -248.512248 -248.512245 -0.000003
CF3OF Trifluoromethylhypofluorite -512.777268 -512.777271 0.000003
CF3OF Trifluoromethylhypofluorite -512.777268 -512.777271 0.000003
SO Sulfur monoxide -473.426642 -473.426645 0.000003
SO Sulfur monoxide -473.426642 -473.426645 0.000003
N2H4 Hydrazine -111.921493 -111.921490 -0.000003
NH3NH3 Ammonia Dimer -113.173003 -113.173006 0.000003
C5H6S Thiophene, 3-methyl- -592.321520 -592.321517 -0.000003
NH3COOH+ protonated Carbamic acid -245.489333 -245.489336 0.000003
CH2NOH formaldoxime -169.808271 -169.808268 -0.000003
HOCHCCHOH allenediol -267.204690 -267.204693 0.000003
CH2NN diazomethane -148.750393 -148.750396 0.000003
NH3COOH+ protonated Carbamic acid -245.458181 -245.458184 0.000003
HOCH hydroxycarbene -114.423708 -114.423705 -0.000003
ClF3 Chlorine trifluoride -759.636039 -759.636042 0.000003
C2H6 Ethane -79.862806 -79.862809 0.000003
C4H8 cyclobutane -157.213153 -157.213150 -0.000003
C4H8 cyclobutane -157.213153 -157.213150 -0.000003
Mg2+ magnesium dimer cation -399.925996 -399.925993 -0.000003
NH2NO Nitrosamide -185.921980 -185.921977 -0.000003
NH2COOH2+ Carbamic acid, O-protonated -245.481369 -245.481366 -0.000003
HCOOC2H5 Ethyl formate -268.382095 -268.382098 0.000003
PH2 Phosphino radical -342.509406 -342.509409 0.000003
B2O2 Diboron dioxide -200.319843 -200.319840 -0.000003
CP- carbon monophosphide anion -379.379251 -379.379248 -0.000003
CH2CHNH vinylazine -133.330386 -133.330383 -0.000003
CH3CH2SH ethanethiol -478.085261 -478.085258 -0.000003
AlO- Aluminum monoxide anion -317.765927 -317.765924 -0.000003
LiCN lithium cyanide -100.389774 -100.389772 -0.000003
BeCO3 Beryllium Carbonate -278.590373 -278.590370 -0.000003
NH2NO Nitrosamide -185.864303 -185.864300 -0.000003
LiS+ Lithium sulfide cation -403.427371 -403.427368 -0.000003
N2O- Nitrous oxide anion -184.738522 -184.738519 -0.000003
CH2NOH formaldoxime -169.816369 -169.816366 -0.000003
HCl Hydrogen chloride -460.830005 -460.830008 0.000003
LiCN lithium cyanide -100.416472 -100.416475 0.000003
Li3N trilithium nitride -77.333883 -77.333880 -0.000003
SiH3Cl chlorosilane -751.531058 -751.531061 0.000003
IBr Iodine monobromide -24.785623 -24.785626 0.000003
CH2CHCONH2 Acrylamide -247.291558 -247.291555 -0.000003
HO2 Hydroperoxy radical -150.899154 -150.899157 0.000003
HO2 Hydroperoxy radical -150.899154 -150.899157 0.000003
C5H8 Spiropentane -195.290684 -195.290687 0.000003
PH phosphorus monohydride -341.877168 -341.877171 0.000003
CH2BOH hydroxy(methylene)borane -139.965765 -139.965768 0.000003
C2O4-- oxalate anion -377.014658 -377.014661 0.000003
SiH3 Silyl radical -289.702693 -289.702690 -0.000003
PO+ phosphorus monoxide cation -416.221475 -416.221472 -0.000003
N2O- Nitrous oxide anion -184.715453 -184.715450 -0.000003
BeOH beryllium hydroxide -90.572510 -90.572507 -0.000003
CH2CHCH3 Propene -117.907562 -117.907559 -0.000003
CH2NH2+ methyleneamine cation -94.974105 -94.974108 0.000003
ScH3 Scandium trihydride -762.464043 -762.464040 -0.000003
CH3CH2SH ethanethiol -478.086714 -478.086711 -0.000003
Li2S dilithium sulfide -413.337857 -413.337860 0.000003
C3H3N2- imidizolyl anion -225.647121 -225.647124 0.000003
ScH3 Scandium trihydride -762.457426 -762.457423 -0.000003
C5H12S 1-Butanethiol, 2-methyl- -596.067926 -596.067928 0.000003
NaO sodium monoxide -237.465491 -237.465488 -0.000003
CHF2Cl difluorochloromethane -698.721789 -698.721792 0.000003
C3H3N+ acrylonitrile cation -170.509423 -170.509420 -0.000003
LiC Lithium Carbide -45.433858 -45.433855 -0.000003
C3H8O2 Propylene glycol -269.561338 -269.561335 -0.000003
C4H4O Furan -230.020582 -230.020585 0.000003
CH2CHNH vinylazine -133.306937 -133.306935 -0.000003
NaCl+ sodium chloride cation -622.285270 -622.285267 -0.000003
CF3+ Trifluoromethyl cation -337.324338 -337.324341 0.000003
H2F+ dihydrogen fluoride cation -100.623086 -100.623083 -0.000003
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.768010 -638.768007 -0.000003
C3H5 Allyl radical -116.619931 -116.619928 -0.000003
C5H7N (Z)-2-Pentenenitrile -249.467462 -249.467459 -0.000003
CH2CHCH3 Propene -117.882443 -117.882440 -0.000003
CH3CHCHCH3 2-Butene, (E)- -157.289555 -157.289558 0.000003
H2OHCOOH Water formic acid dimer 1 -266.309603 -266.309600 -0.000003
C2H5 Ethyl radical -79.193142 -79.193145 0.000003
C2H5 Ethyl radical -79.193142 -79.193145 0.000003
CHCl2 dichloromethyl radical -959.034108 -959.034105 -0.000003
CH3CH2CH2CN Butanenitrile -211.390733 -211.390735 0.000003
NaO sodium monoxide -237.465491 -237.465488 -0.000003
CF3OF Trifluoromethylhypofluorite -512.563023 -512.563021 -0.000003
CF3OF Trifluoromethylhypofluorite -512.563023 -512.563021 -0.000003
CF3OF Trifluoromethylhypofluorite -512.563023 -512.563021 -0.000003
CF3OF Trifluoromethylhypofluorite -512.563023 -512.563021 -0.000003
CF3OF Trifluoromethylhypofluorite -512.563023 -512.563021 -0.000003
CF3OF Trifluoromethylhypofluorite -512.563023 -512.563021 -0.000003
BeOH beryllium hydroxide -90.566188 -90.566186 -0.000003
C2H6 Ethane -79.856260 -79.856263 0.000003
AlP Aluminum monophosphide -583.674826 -583.674823 -0.000003
AlP Aluminum monophosphide -583.674826 -583.674823 -0.000003
P2 Phosphorus diatomic -682.688943 -682.688945 0.000003
P2 Phosphorus diatomic -682.688943 -682.688945 0.000003
SiS+ silicon monosulfide cation -687.376125 -687.376128 0.000003
CF3+ Trifluoromethyl cation -337.226297 -337.226294 -0.000003
CF3+ Trifluoromethyl cation -337.226297 -337.226294 -0.000003
BCl3 Borane, trichloro- -1405.686620 -1405.686623 0.000003
S Sulfur atom -10.065050 -10.065047 -0.000003
S Sulfur atom -10.065050 -10.065047 -0.000003
NH3COOH+ protonated Carbamic acid -244.094295 -244.094298 0.000003
HCl Hydrogen chloride -460.827700 -460.827703 0.000003
F+ Fluorine atom cation -99.076751 -99.076754 0.000003
SiC silicon monocarbide -327.359341 -327.359338 -0.000003
SiC silicon monocarbide -327.359341 -327.359338 -0.000003
F+ Fluorine atom cation -99.077078 -99.077081 0.000003
C5H6 1,3-Cyclopentadiene -194.174109 -194.174112 0.000003
C5H6 1,3-Cyclopentadiene -194.174109 -194.174112 0.000003
CH3OH Methyl alcohol -115.722818 -115.722815 -0.000003
CF2- Difluoromethylene anion -237.663065 -237.663063 -0.000003
BAl Boron Aluminum -267.095188 -267.095185 -0.000003
OCS Carbonyl sulfide -511.535549 -511.535546 -0.000003
CHCl2 dichloromethyl radical -959.035585 -959.035582 -0.000003
NH3COOH+ protonated Carbamic acid -245.443749 -245.443752 0.000003
PH2 Phosphino radical -342.504213 -342.504216 0.000003
CH3CHNOH Acetaldoxime -209.225191 -209.225194 0.000003
N2 Nitrogen diatomic -109.481397 -109.481395 -0.000003
N2 Nitrogen diatomic -109.481397 -109.481395 -0.000003
H2POH Phosphinous acid -418.449096 -418.449094 -0.000003
BeO beryllium oxide -89.939317 -89.939320 0.000003
BeO beryllium oxide -89.939317 -89.939320 0.000003
CNH2 CNH2 -93.974685 -93.974688 0.000003
ClOO+ chloroperoxy cation -610.033516 -610.033518 0.000003
C4H12N2 2-Methyl-1,2-propanediamine -269.142915 -269.142913 -0.000003
NH2COOH2+ Carbamic acid, O-protonated -244.102628 -244.102626 -0.000003
SCN thiocyanato radical -491.056467 -491.056465 -0.000003
SiCl3CH3 methyltrichlorosilane -1710.163334 -1710.163337 0.000003
Se Selenium atom -2399.324030 -2399.324027 -0.000003
BeOH beryllium hydroxide -90.566759 -90.566756 -0.000003
F2 Fluorine diatomic -199.594538 -199.594541 0.000003
F2 Fluorine diatomic -199.594538 -199.594541 0.000003
HFCO+ formyl fluoride cation -213.407306 -213.407309 0.000003
ScH3 Scandium trihydride -762.458682 -762.458679 -0.000003
NO3+ nitrogen trioxide cation -279.861401 -279.861404 0.000003
C5H8O2 Acetylacetone -345.933830 -345.933827 -0.000003
C2H3CCH 1-Buten-3-yne -154.799561 -154.799558 -0.000003
H2OCH3OH water methanol dimer -192.135333 -192.135330 -0.000003
AlN Aluminum nitride -297.003386 -297.003384 -0.000003
NH2CN cyanamide -148.845467 -148.845470 0.000003
C2H3- vinyl anion -77.456942 -77.456944 0.000003
CH3NH2 methyl amine -95.858029 -95.858027 -0.000003
CH3NH2 methyl amine -95.858029 -95.858027 -0.000003
BeN+ Beryllium mononitride cation -68.553564 -68.553561 -0.000003
HCl Hydrogen chloride -460.833466 -460.833469 0.000003
CH3NNCH3 (E)-1,2-Dimethyldiazene -189.282963 -189.282965 0.000003
C5H10 2-Pentene, (Z)- -196.616399 -196.616396 -0.000003
LiCN lithium cyanide -100.418983 -100.418986 0.000003
BeO beryllium oxide -89.942141 -89.942143 0.000003
B2Cl4 Diboron tetrachloride -1890.812943 -1890.812946 0.000003
VO Vanadium monoxide -1019.268882 -1019.268884 0.000003
BeO beryllium oxide -89.942141 -89.942143 0.000003
C4H6 Cyclobutene -156.032911 -156.032914 0.000003
BF3 Borane, trifluoro- -319.872498 -319.872495 -0.000003
NCl nitrogen monochloride -514.826855 -514.826858 0.000003
C4H6O cis-2-butenal -231.325282 -231.325279 -0.000003
HCO2- formate anion -189.288237 -189.288235 -0.000003
CHClCHCl Ethene, 1,2-dichloro-, (Z)- -997.886010 -997.886007 -0.000003
C6H6O 2,5-Cyclohexadienone -305.749844 -305.749846 0.000003
SiF2+ Silicon difluoride cation -488.880439 -488.880441 0.000003
SCl2 Sulfur dichloride -1318.624155 -1318.624158 0.000003
SCl2 Sulfur dichloride -1318.624155 -1318.624158 0.000003
NaCN Sodium Cyanide -255.174791 -255.174789 -0.000003
CH2CHCHCH2 1,3-Butadiene -155.995090 -155.995088 -0.000003
CH3SH Methanethiol -438.708419 -438.708416 -0.000003
ScH3 Scandium trihydride -762.465129 -762.465126 -0.000003
H2OHCOOH Water formic acid dimer 2 -266.312843 -266.312845 0.000003
CH3NHCH2COOH Sarcosine -323.872325 -323.872327 0.000003
N2H2 (Z)-Diazene -110.657335 -110.657337 0.000003
H2CO Formaldehyde -113.861435 -113.861432 -0.000003
BeO- Beryllium monoxide anion -89.960710 -89.960707 -0.000003
N2H2 (Z)-Diazene -110.677407 -110.677410 0.000003
Na2 Sodium diatomic -324.608697 -324.608700 0.000003
F+ Fluorine atom cation -99.086153 -99.086156 0.000003
N2H4 Hydrazine -111.881488 -111.881485 -0.000003
CF+ carbon monofluoride cation -137.436299 -137.436296 -0.000003
C4H5N Pyrrole -210.188174 -210.188171 -0.000003
C3H6O 2-Propen-1-ol -193.195323 -193.195320 -0.000003
C2H4O3 1,2,3-trioxolane -304.213559 -304.213562 0.000003
CH3OCH2 methoxymethyl radical -154.430967 -154.430965 -0.000003
Al2 Aluminum diatomic -484.770697 -484.770700 0.000003
CH3CH(CH3)CN Propanenitrile, 2-methyl- -211.462921 -211.462918 -0.000003
Na2 Sodium diatomic -324.609023 -324.609026 0.000003
Al+ Aluminum atom cation -242.171975 -242.171973 -0.000003
H2CO Formaldehyde -113.861435 -113.861432 -0.000003
C6H5O phenoxy radical -306.943228 -306.943225 -0.000003
H2CO Formaldehyde -113.861435 -113.861433 -0.000003
C2H2O2 Ethanedial -227.914322 -227.914319 -0.000003
C5H11N Piperidine -251.930168 -251.930171 0.000003
F+ Fluorine atom cation -99.073526 -99.073529 0.000003
CH3NO nitrosomethane -169.839714 -169.839711 -0.000003
C3H7NO Propanamide -248.635832 -248.635829 -0.000003
C3H3N+ acrylonitrile cation -170.508227 -170.508224 -0.000003
AlS- aluminum monosulfide anion -640.709402 -640.709405 0.000003
AlH aluminum monohydride -242.983019 -242.983016 -0.000003
C3H7SH 1-Propanethiol -517.326702 -517.326699 -0.000003
CH2BOH hydroxy(methylene)borane -140.034265 -140.034268 0.000003
SiH+ silicon monohydride cation -288.176638 -288.176635 -0.000003
SiH+ silicon monohydride cation -288.176638 -288.176635 -0.000003
CF3COOH trifluoroacetic acid -527.004763 -527.004761 -0.000003
C3H3N acrylonitrile -170.845004 -170.845001 -0.000003
H2NCOHNH2+ urea, protonated -225.669136 -225.669133 -0.000003
BeS beryllium sulfide -412.897682 -412.897679 -0.000003
C6H12 Ethylcyclobutane -235.842095 -235.842098 0.000003
N2H2 (Z)-Diazene -110.641098 -110.641100 0.000003
C2F2 difluoroacetylene -275.860432 -275.860435 0.000003
H2CO Formaldehyde -113.861435 -113.861433 -0.000003
PO2 Phosphorus dioxide -491.879677 -491.879675 -0.000003
AlP Aluminum monophosphide -583.676932 -583.676929 -0.000003
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.670141 -638.670139 -0.000003
Al+ Aluminum atom cation -242.171994 -242.171992 -0.000003
O2 Oxygen diatomic -150.271458 -150.271456 -0.000003
C3H6N2 3-Aminopropionitrile -227.408821 -227.408824 0.000003
N2H4+ hydrazine cation -110.968558 -110.968561 0.000003
Na2CO3 Sodium Carbonate -588.547328 -588.547331 0.000003
CH2NOH formaldoxime -169.888019 -169.888016 -0.000003
BeF2 Beryllium fluoride -214.602377 -214.602379 0.000003
ClO Monochlorine monoxide -535.292266 -535.292268 0.000003
ClO Monochlorine monoxide -535.292266 -535.292268 0.000003
NH3O Ammonia Oxide -131.708347 -131.708344 -0.000003
H2OCH3OCH3 water dimethylether dimer -231.445126 -231.445129 0.000003
C4H4N2 Succinonitrile -264.301388 -264.301385 -0.000003
Se Selenium atom -2399.306135 -2399.306132 -0.000003
Mg2 Magnesium diatomic -400.159221 -400.159224 0.000003
Mg2 Magnesium diatomic -400.159221 -400.159224 0.000003
FCN Cyanogen fluoride -192.630950 -192.630947 -0.000003
FCN Cyanogen fluoride -192.630950 -192.630947 -0.000003
O2+ diatomic oxygen cation -149.923586 -149.923583 -0.000003
O2+ diatomic oxygen cation -149.923586 -149.923583 -0.000003
CH3CHNH ethanimine -134.011964 -134.011967 0.000003
CH3NHCH3 Dimethylamine -135.222784 -135.222787 0.000003
LiCN lithium cyanide -100.414590 -100.414593 0.000003
CO Carbon monoxide -111.772697 -111.772695 -0.000003
C4H4N2 Succinonitrile -264.318618 -264.318616 -0.000003
SH Mercapto radical -398.781269 -398.781266 -0.000003
C6H4 (Z)-Hexa-1,5-diyne-3-ene -230.975132 -230.975135 0.000003
H3BO3 Boric acid -252.611163 -252.611165 0.000003
C2H3CCH 1-Buten-3-yne -154.733801 -154.733798 -0.000003
SiCl3+ trichlorosilyl cation -1669.878676 -1669.878673 -0.000003
LiO- lithium oxide anion -82.684450 -82.684448 -0.000003
Na2 Sodium diatomic -324.611111 -324.611114 0.000003
FO2 Dioxygen monofluoride -250.076763 -250.076761 -0.000003
AlF3 Aluminum trifluoride -542.203377 -542.203374 -0.000003
AlF3 Aluminum trifluoride -542.203377 -542.203374 -0.000003
C3H3- Propargyl anion -116.086158 -116.086155 -0.000003
ClONO chlorine nitrite -665.250087 -665.250084 -0.000003
NH3NH3 Ammonia Dimer -113.181671 -113.181674 0.000003
NH3NH3 Ammonia Dimer -113.181671 -113.181674 0.000003
CO Carbon monoxide -111.772697 -111.772695 -0.000003
F+ Fluorine atom cation -99.082501 -99.082504 0.000003
H3S+ Sulfonium cation -399.710123 -399.710120 -0.000003
O2+ diatomic oxygen cation -149.922444 -149.922441 -0.000003
O2+ diatomic oxygen cation -149.922444 -149.922441 -0.000003
CH2N4 1H-Tetrazole -258.311983 -258.311980 -0.000003
NH3NH3 Ammonia Dimer -113.181669 -113.181672 0.000003
HCl Hydrogen chloride -460.846953 -460.846955 0.000003
Na Sodium atom -162.297021 -162.297024 0.000003
Al2H6 dialane -488.518661 -488.518664 0.000003
BF3- Borane, trifluoro- anion -324.684422 -324.684419 -0.000003
CHONH2 formamide -169.970250 -169.970248 -0.000003
NH2CN cyanamide -148.848604 -148.848607 0.000003
HSO4- bisulfate anion -699.774926 -699.774924 -0.000003
N2H2 trans-diazine -110.002090 -110.002088 -0.000003
N2H2 trans-diazine -110.002090 -110.002088 -0.000003
C4H4N2 1,3-Diazine -264.323726 -264.323724 -0.000003
B Boron atom -24.663889 -24.663892 0.000003
Li3N trilithium nitride -77.332469 -77.332467 -0.000003
CH3CHOH+ acetaldehyde, protonated -154.148425 -154.148422 -0.000003
H2POH Phosphinous acid -418.444827 -418.444830 0.000003
Na2 Sodium diatomic -324.589552 -324.589555 0.000003
C5H6 Bicyclo[2.1.0]pent-2-ene -194.024374 -194.024372 -0.000003
C3H4 cyclopropene -116.666665 -116.666663 -0.000003
HCl Hydrogen chloride -460.844012 -460.844014 0.000003
C4H4N2 Pyridazine -264.384045 -264.384047 0.000003
SiS2 Silicon disulfide -1085.983749 -1085.983746 -0.000003
CH2BOH hydroxy(methylene)borane -139.983262 -139.983265 0.000003
H2S Hydrogen sulfide -399.385435 -399.385433 -0.000003
H2S Hydrogen sulfide -399.385435 -399.385433 -0.000003
H2S Hydrogen sulfide -399.385435 -399.385433 -0.000003
H2S Hydrogen sulfide -399.385435 -399.385433 -0.000003
HOCHCCHOH allenediol -267.111490 -267.111493 0.000003
C4H8O Cyclobutanol -232.524881 -232.524879 -0.000003
FO Oxygen monofluoride -174.869582 -174.869580 -0.000003
FO Oxygen monofluoride -174.869582 -174.869580 -0.000003
HOONO2 peroxy nitric acid -356.007796 -356.007793 -0.000003
F+ Fluorine atom cation -99.106529 -99.106532 0.000003
F+ Fluorine atom cation -99.106529 -99.106532 0.000003
C4H6OS Vinyl sulfoxide -629.339325 -629.339322 -0.000003
C6H12 Ethylcyclobutane -235.929806 -235.929809 0.000003
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.029096 -999.029099 0.000003
HOCO Hydrocarboxyl radical -189.176556 -189.176553 -0.000003
B2Cl4 Diboron tetrachloride -1890.816489 -1890.816492 0.000003
C6H14 Butane, 2,3-dimethyl- -237.082503 -237.082506 0.000003
H2OHCOOH Water formic acid dimer 2 -266.217721 -266.217723 0.000003
CH3COOCH3 methyl acetate -268.500285 -268.500287 0.000003
CF2 Difluoromethylene -237.714271 -237.714273 0.000003
C5H8O Methyl cyclopropyl ketone -270.642281 -270.642284 0.000003
NHCHNH2 aminomethanimine -150.069514 -150.069516 0.000003
BAl Boron Aluminum -267.091741 -267.091738 -0.000003
BAl Boron Aluminum -267.091741 -267.091738 -0.000003
PH+ phosphorus monohydride cation -341.503706 -341.503708 0.000003
H2OCH3OH water methanol dimer -192.250799 -192.250796 -0.000003
CHONH2 formamide -169.902817 -169.902815 -0.000003
C4H2O3 Maleic Anhydride -379.440257 -379.440259 0.000003
CF3COF trifluoroacetyl fluoride -550.826951 -550.826953 0.000003
HOCH2COOH Hydroxyacetic acid -304.286009 -304.286006 -0.000003
CH2CHCHCH2 1,3-Butadiene -156.006275 -156.006273 -0.000003
CH3CH(CH3)CN Propanenitrile, 2-methyl- -211.465276 -211.465274 -0.000003
HO2CCHNH2CH2OH Serine -399.120750 -399.120753 0.000003
Al2H6 dialane -488.520092 -488.520095 0.000003
CHClCHCH2CH3 (E)-1-Chloro-1-butene -616.919508 -616.919505 -0.000003
C7H16 2-methylhexane -276.504414 -276.504417 0.000003
B2Cl4 Diboron tetrachloride -1890.812943 -1890.812946 0.000003
C4H8 cyclobutane -157.245603 -157.245601 -0.000003
C4H8 cyclobutane -157.245603 -157.245601 -0.000003
C4H4N2 Pyridazine -264.287588 -264.287586 -0.000003
CH3COCH3 Acetone -193.236203 -193.236206 0.000003
BS boron sulfide -422.969848 -422.969845 -0.000003
BS boron sulfide -422.969848 -422.969845 -0.000003
CHCl2 dichloromethyl radical -959.040031 -959.040028 -0.000003
NH3NH3 Ammonia Dimer -113.179172 -113.179174 0.000003
SH Mercapto radical -398.780220 -398.780218 -0.000002
HFCO+ formyl fluoride cation -213.402816 -213.402819 0.000002
C3H3NO Isoxazole -246.129693 -246.129695 0.000002
NH3COOH+ protonated Carbamic acid -245.554501 -245.554503 0.000002
CH3CH(CH3)CN Propanenitrile, 2-methyl- -211.390658 -211.390655 -0.000002
CHCl2 dichloromethyl radical -959.099555 -959.099552 -0.000002
C3H7NO Propanamide -248.526849 -248.526851 0.000002
CH2CHNH vinylazine -133.331177 -133.331175 -0.000002
C4H4O2 2-Oxetanone, 4-methylene- -305.237819 -305.237821 0.000002
AlH2- aluminum dihydride anion -243.596498 -243.596496 -0.000002
BAl Boron Aluminum -267.110235 -267.110233 -0.000002
AlO Aluminum monoxide -317.611330 -317.611327 -0.000002
AlO Aluminum monoxide -317.611330 -317.611327 -0.000002
C3H3N2- imidizolyl anion -225.682058 -225.682055 -0.000002
BAl Boron Aluminum -267.111115 -267.111113 -0.000002
Li+ Lithium atom cation -7.284903 -7.284906 0.000002
Li+ Lithium atom cation -7.284903 -7.284906 0.000002
MgS+ magnesium sulfide cation -598.026474 -598.026477 0.000002
LiBr Lithium Bromide -2581.838500 -2581.838498 -0.000002
NH3NH3 Ammonia Dimer -113.179172 -113.179174 0.000002
CF3OF Trifluoromethylhypofluorite -512.786578 -512.786580 0.000002
CF3OF Trifluoromethylhypofluorite -512.786578 -512.786580 0.000002
H2S Hydrogen sulfide -399.391627 -399.391624 -0.000002
H2S Hydrogen sulfide -399.391627 -399.391624 -0.000002
C5H10O Cyclopentanol -271.879623 -271.879620 -0.000002
CH2CHCH3 Propene -117.916554 -117.916552 -0.000002
Li2S dilithium sulfide -413.333998 -413.334001 0.000002
CHONH2 formamide -169.925371 -169.925369 -0.000002
SiH2 silicon dihydride -290.612022 -290.612025 0.000002
ClF3 Chlorine trifluoride -759.616261 -759.616258 -0.000002
C6H8 (E)-hexa-1,3,5-triene -233.423262 -233.423265 0.000002
CH3OH Methyl alcohol -115.722817 -115.722815 -0.000002
NH2CN cyanamide -148.780062 -148.780065 0.000002
HFCO+ formyl fluoride cation -213.405583 -213.405586 0.000002
CH3PH2 Methyl phosphine -382.468447 -382.468444 -0.000002
HCS Thioformyl radical -436.858005 -436.858008 0.000002
CNH2 CNH2 -93.972347 -93.972349 0.000002
LiH Lithium Hydride -7.962376 -7.962373 -0.000002
LiH Lithium Hydride -7.962376 -7.962373 -0.000002
CH2CHCH2CH2Cl 1-Butene, 4-chloro- -616.815871 -616.815874 0.000002
C4H2N2 Fumaronitrile -263.084433 -263.084430 -0.000002
PH3 Phosphine -343.140283 -343.140281 -0.000002
PH3 Phosphine -343.140283 -343.140281 -0.000002
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- -616.826253 -616.826250 -0.000002
N(CH3)2CONH2 Urea, N,N-dimethyl- -304.007206 -304.007208 0.000002
CH2CHNH vinylazine -133.316122 -133.316119 -0.000002
C6H10 1-Hexyne -234.689153 -234.689155 0.000002
PH3 Phosphine -343.140283 -343.140281 -0.000002
PH3 Phosphine -343.140283 -343.140281 -0.000002
CH2CH2OH 2-hydroxy ethyl radical -154.436408 -154.436411 0.000002
CH3CCH propyne -116.703632 -116.703630 -0.000002
CH3BO Borane, methyloxo- -140.070119 -140.070117 -0.000002
Na+ Sodium atom cation -162.097714 -162.097716 0.000002
CHONH2 formamide -169.888843 -169.888841 -0.000002
SiF2 Silicon difluoride -489.138160 -489.138157 -0.000002
C3H3N+ acrylonitrile cation -170.509423 -170.509420 -0.000002
NaLi- lithium sodium anion -169.835463 -169.835466 0.000002
NH3COOH+ protonated Carbamic acid -245.551774 -245.551776 0.000002
Na Sodium atom -162.296979 -162.296981 0.000002
Na- Sodium atom anion -162.318419 -162.318422 0.000002
LiCl lithium chloride -467.796285 -467.796283 -0.000002
LiCl lithium chloride -467.796285 -467.796283 -0.000002
Na+ Sodium atom cation -162.097724 -162.097726 0.000002
NH3COOH+ protonated Carbamic acid -245.465238 -245.465240 0.000002
CHONH2 formamide -169.888843 -169.888841 -0.000002
CH3CO Acetyl radical -153.194505 -153.194508 0.000002
CH3CO Acetyl radical -153.194505 -153.194508 0.000002
NO Nitric oxide -129.834747 -129.834745 -0.000002
NO Nitric oxide -129.834747 -129.834745 -0.000002
CHONH2 formamide -169.888843 -169.888841 -0.000002
BeOH beryllium hydroxide -90.584122 -90.584120 -0.000002
O2 Oxygen diatomic -150.379489 -150.379486 -0.000002
O2 Oxygen diatomic -150.379489 -150.379486 -0.000002
O2 Oxygen diatomic -150.379489 -150.379486 -0.000002
GeS Germanium monosulfide -2475.263616 -2475.263618 0.000002
N2H4 Hydrazine -111.856448 -111.856446 -0.000002
CH3OH- Methyl alcohol anion -115.680343 -115.680341 -0.000002
CH3OH- Methyl alcohol anion -115.680343 -115.680341 -0.000002
CHONH2 formamide -169.888843 -169.888841 -0.000002
C5H5NO 4(3H)-Pryidinone -323.600635 -323.600633 -0.000002
AlH2- aluminum dihydride anion -243.632222 -243.632224 0.000002
H3O2+ hydrogen peroxide, protonated -151.882012 -151.882014 0.000002
C5H8O 2H-Pyran, 3,4-dihydro- -270.649934 -270.649931 -0.000002
C5H11N Piperidine -251.998912 -251.998915 0.000002
AlP Aluminum monophosphide -583.717484 -583.717482 -0.000002
FCN Cyanogen fluoride -192.713787 -192.713789 0.000002
C4H6O Cyclobutanone -231.228583 -231.228586 0.000002
C5H8 1,3-Pentadiene, (E)- -195.312245 -195.312248 0.000002
F+ Fluorine atom cation -99.101863 -99.101866 0.000002
NH2COOH Carbamic acid -245.244186 -245.244188 0.000002
CH2NOH formaldoxime -168.864852 -168.864850 -0.000002
C6H13N cyclohexanamine -291.224293 -291.224295 0.000002
C3H2O2 Propiolic acid -266.006845 -266.006847 0.000002
CF2O Carbonic difluoride -313.007949 -313.007951 0.000002
SiH2 silicon dihydride -290.611590 -290.611592 0.000002
CNOH3 1,2-oxaziridine -169.853686 -169.853688 0.000002
CH3COCH3 Acetone -193.233158 -193.233160 0.000002
C6H5 phenyl -231.646350 -231.646347 -0.000002
H2OH2O water dimer -152.929382 -152.929384 0.000002
NS- nitrogen sulfide anion -452.892853 -452.892851 -0.000002
NS- nitrogen sulfide anion -452.892853 -452.892851 -0.000002
NS- nitrogen sulfide anion -452.892853 -452.892851 -0.000002
NS- nitrogen sulfide anion -452.892853 -452.892851 -0.000002
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.728573 -638.728571 -0.000002
C4H6 Methylenecyclopropane -155.962637 -155.962639 0.000002
H2OH2O water dimer -152.877718 -152.877720 0.000002
C2H5 Ethyl radical -79.192230 -79.192233 0.000002
C2H5 Ethyl radical -79.192230 -79.192233 0.000002
C4H4N2 1,3-Diazine -264.340810 -264.340807 -0.000002
LiCl- lithium chloride anion -467.814180 -467.814177 -0.000002
SiH2 silicon dihydride -290.581143 -290.581145 0.000002
F+ Fluorine atom cation -99.102701 -99.102704 0.000002
SiH+ silicon monohydride cation -289.723352 -289.723350 -0.000002
FCO Carbonyl fluoride -213.186415 -213.186413 -0.000002
C6H12 Cyclopentane, methyl- -235.960116 -235.960118 0.000002
B Boron atom -24.662655 -24.662658 0.000002
Mg2 Magnesium diatomic -400.159226 -400.159224 -0.000002
Mg2 Magnesium diatomic -400.159226 -400.159224 -0.000002
BeMg Beryllium Magnesium -214.772525 -214.772527 0.000002
SiH+ silicon monohydride cation -289.722933 -289.722931 -0.000002
C6H10 Cyclopentene, 3-methyl- -234.730451 -234.730449 -0.000002
CH2CHNH vinylazine -133.314913 -133.314910 -0.000002
C6H6 Benzene -232.335571 -232.335568 -0.000002
CF2Cl2 difluorodichloromethane -1158.344650 -1158.344648 -0.000002
CH6N3+ guanidinium -205.856858 -205.856856 -0.000002
LiCN lithium cyanide -100.380568 -100.380571 0.000002
LiCN lithium cyanide -100.380568 -100.380571 0.000002
LiMg Lithium magnesium -207.596827 -207.596830 0.000002
CO Carbon monoxide -113.278561 -113.278559 -0.000002
CO Carbon monoxide -113.278561 -113.278559 -0.000002
SiH+ silicon monohydride cation -289.723352 -289.723350 -0.000002
CH3NH2 methyl amine -95.897919 -95.897917 -0.000002
Na2 Sodium diatomic -322.569988 -322.569991 0.000002
NH2CONH2 Urea -225.260458 -225.260456 -0.000002
NH2CONH2 Urea -225.260458 -225.260456 -0.000002
NH2CONH2 Urea -225.260458 -225.260456 -0.000002
NH2CONH2 Urea -225.260458 -225.260456 -0.000002
CH2CHCHCH2 1,3-Butadiene -156.050189 -156.050186 -0.000002
C+ Carbon atom cation -37.426920 -37.426922 0.000002
LiN Lithium Nitride -62.138114 -62.138116 0.000002
BeO+ Beryllium monoxide cation -89.576675 -89.576672 -0.000002
H2POH Phosphinous acid -418.448843 -418.448846 0.000002
CO Carbon monoxide -113.277856 -113.277854 -0.000002
CO Carbon monoxide -113.277856 -113.277854 -0.000002
H2NO nitroxide -131.095206 -131.095203 -0.000002
F+ Fluorine atom cation -98.559813 -98.559815 0.000002
F+ Fluorine atom cation -98.559813 -98.559815 0.000002
SiH- silicon monohydride anion -290.052467 -290.052470 0.000002
N2O- Nitrous oxide anion -184.630813 -184.630810 -0.000002
N2O- Nitrous oxide anion -184.630813 -184.630810 -0.000002
CH3CH2COOH Propanoic Acid -268.442220 -268.442218 -0.000002
SiH+ silicon monohydride cation -289.722933 -289.722931 -0.000002
O2 Oxygen diatomic -150.257427 -150.257424 -0.000002
AlH3+ aluminum trihydride cation -243.845699 -243.845696 -0.000002
CH3CH(CH3)CH3 Isobutane -158.521010 -158.521007 -0.000002
CH3CH(CH3)CH3 Isobutane -158.521010 -158.521007 -0.000002
NH2CONH2 Urea -225.312023 -225.312021 -0.000002
NH2CONH2 Urea -225.312023 -225.312021 -0.000002
C3H4 cyclopropene -116.665638 -116.665636 -0.000002
H3PO Phosphine oxide -418.453140 -418.453138 -0.000002
C3H7OH 1-Propanol -194.438042 -194.438045 0.000002
CH2CHNH vinylazine -133.354618 -133.354615 -0.000002
H3PO Phosphine oxide -418.448902 -418.448900 -0.000002
CO2+ Carbon dioxide cation -188.107285 -188.107283 -0.000002
SO+ sulfur monoxide cation -473.041296 -473.041298 0.000002
CH2OH Hydroxymethyl radical -114.414453 -114.414451 -0.000002
CH2OH Hydroxymethyl radical -114.414453 -114.414451 -0.000002
CO2 Carbon dioxide -187.523636 -187.523634 -0.000002
SOCl2 thionyl chloride -1393.929067 -1393.929065 -0.000002
S2Cl2 Disulfur dichloride -1716.927867 -1716.927869 0.000002
NH2CONH2 Urea -225.258278 -225.258276 -0.000002
O2 Oxygen diatomic -150.320038 -150.320040 0.000002
O2 Oxygen diatomic -150.320038 -150.320040 0.000002
NF+ nitrogen monofluoirde cation -153.981901 -153.981903 0.000002
PO2 Phosphorus dioxide -491.884394 -491.884392 -0.000002
HNO Nitrosyl hydride -130.527573 -130.527570 -0.000002
H2OH2O water dimer -152.896792 -152.896795 0.000002
HBHHBH Diborane(4) C2V -52.061971 -52.061974 0.000002
SiH3 Silyl radical -291.237540 -291.237542 0.000002
Al2+ aluminum dimer cation -484.569763 -484.569765 0.000002
BeMg Beryllium Magnesium -214.772619 -214.772622 0.000002
C5H12O 3-Pentanol -272.980746 -272.980744 -0.000002
Al Aluminum atom -241.084344 -241.084342 -0.000002
SH Mercapto radical -398.784207 -398.784205 -0.000002
C6H10 1,4-Hexadiene, (Z)- -234.708255 -234.708253 -0.000002
HNO Nitrosyl hydride -130.523489 -130.523487 -0.000002
BeO+ Beryllium monoxide cation -89.576675 -89.576672 -0.000002
SiH3 Silyl radical -291.237540 -291.237542 0.000002
SiH- silicon monohydride anion -290.052467 -290.052470 0.000002
C4H6 Cyclobutene -155.973262 -155.973265 0.000002
LiS Lithium monosulfide -405.740210 -405.740208 -0.000002
C3H6 Cyclopropane -117.246430 -117.246428 -0.000002
SiC silicon monocarbide -327.402969 -327.402966 -0.000002
SH Mercapto radical -398.782243 -398.782241 -0.000002
BeO+ Beryllium monoxide cation -89.575333 -89.575331 -0.000002
CH3CH(CH3)CN Propanenitrile, 2-methyl- -211.433206 -211.433204 -0.000002
BeMg Beryllium Magnesium -214.756688 -214.756690 0.000002
H2NO nitroxide -131.082451 -131.082449 -0.000002
SiH3- Silyl anion -291.316419 -291.316417 -0.000002
CS carbon monosulfide -436.209305 -436.209303 -0.000002
DS Mercapto-d -398.781269 -398.781266 -0.000002
SH Mercapto radical -398.781269 -398.781266 -0.000002
BAl Boron Aluminum -267.115428 -267.115426 -0.000002
NaOH sodium hydroxide -238.110188 -238.110190 0.000002
SH Mercapto radical -398.781269 -398.781266 -0.000002
LiS Lithium monosulfide -405.748991 -405.748989 -0.000002
CH2CHNH vinylazine -133.322139 -133.322136 -0.000002
CH3NHCH3 Dimethylamine -135.181276 -135.181278 0.000002
CCl+ carbon monochloride cation -497.799870 -497.799872 0.000002
CH2BOH hydroxy(methylene)borane -140.037360 -140.037362 0.000002
H2OH2O water dimer -152.877718 -152.877720 0.000002
C2H4N4 1H-Tetrazole, 5-methyl- -297.689191 -297.689189 -0.000002
AlS Aluminum sulfide -640.677710 -640.677712 0.000002
BF Boron monofluoride -124.669535 -124.669533 -0.000002
N2H2 (Z)-Diazene -110.673306 -110.673309 0.000002
C2H4- Ethylene anion -78.548434 -78.548437 0.000002
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- -638.763116 -638.763114 -0.000002
FCN Cyanogen fluoride -192.713787 -192.713789 0.000002
NH2NO Nitrosamide -185.861582 -185.861580 -0.000002
BF Boron monofluoride -123.981182 -123.981180 -0.000002
BF Boron monofluoride -123.981182 -123.981180 -0.000002
H2OH2CO water formaldehyde dimer -190.953676 -190.953674 -0.000002
CH2CHF Ethene, fluoro- -177.819640 -177.819638 -0.000002
CH2CHNH vinylazine -133.306256 -133.306254 -0.000002
CH2CHNH vinylazine -133.298396 -133.298394 -0.000002
C5H8 1,3-Pentadiene, (Z)- -195.309812 -195.309809 -0.000002
BeO+ Beryllium monoxide cation -89.575333 -89.575331 -0.000002
O2 Oxygen diatomic -150.334042 -150.334040 -0.000002
O2 Oxygen diatomic -150.334042 -150.334040 -0.000002
AlN+ aluminum mononitride cation -296.740252 -296.740250 -0.000002
PH3 Phosphine -343.179964 -343.179966 0.000002
PH3 Phosphine -343.179964 -343.179966 0.000002
C3H3N3 1,3,5-Triazine -280.466238 -280.466240 0.000002
HSO3F Fluorosulfonic acid -724.441392 -724.441389 -0.000002
H2NO nitroxide -131.123953 -131.123951 -0.000002
CH3BO Borane, methyloxo- -140.059771 -140.059769 -0.000002
CH3CH(CH3)CN Propanenitrile, 2-methyl- -211.405934 -211.405932 -0.000002
NH3- Ammonia anion -56.549485 -56.549483 -0.000002
AlS Aluminum sulfide -640.677710 -640.677712 0.000002
C4H4N2 Pyridazine -264.380365 -264.380367 0.000002
CH3SSCH3 Disulfide, dimethyl -876.207515 -876.207517 0.000002
C5H6 3-Penten-1-yne, (Z)- -194.054815 -194.054817 0.000002
H2S Hydrogen sulfide -399.393581 -399.393578 -0.000002
H2S Hydrogen sulfide -399.393581 -399.393578 -0.000002
C4H4N- pyrrolide anion -209.655306 -209.655304 -0.000002
NBr3 Nitrogen Tribromide -7777.114266 -7777.114269 0.000002
Zn Zinc atom -65.595805 -65.595803 -0.000002
Zn Zinc atom -65.595805 -65.595803 -0.000002
H2NO nitroxide -131.089069 -131.089067 -0.000002
HOCH2CH2NH2 monoethanolamine -210.477119 -210.477121 0.000002
HCl Hydrogen chloride -460.838736 -460.838738 0.000002
CNOH3 1,2-oxaziridine -169.849093 -169.849095 0.000002
NH3O Ammonia Oxide -131.731859 -131.731857 -0.000002
AlO Aluminum monoxide -317.672784 -317.672782 -0.000002
HCl Hydrogen chloride -460.838399 -460.838401 0.000002
C2H6N2O2 (E)-Azodioxymethane -339.768028 -339.768026 -0.000002
BH2- boron dihydride anion -25.945725 -25.945727 0.000002
H2POH Phosphinous acid -418.362668 -418.362670 0.000002
CH2ClCH2Cl Ethane, 1,2-dichloro- -999.019008 -999.019010 0.000002
MgH magnesium monohydride -200.632219 -200.632221 0.000002
BeS- Beryllium monosulfide anion -412.971331 -412.971328 -0.000002
CH3CO Acetyl radical -153.179833 -153.179835 0.000002
CH3CO Acetyl radical -153.179833 -153.179835 0.000002
CH3CO Acetyl radical -153.179833 -153.179835 0.000002
CH3CO Acetyl radical -153.179833 -153.179835 0.000002
CH3SH Methanethiol -438.757045 -438.757043 -0.000002
BF Boron monofluoride -122.866567 -122.866565 -0.000002
H2POH Phosphinous acid -418.449193 -418.449195 0.000002
LiS Lithium monosulfide -405.733762 -405.733760 -0.000002
H2S Hydrogen sulfide -399.418093 -399.418091 -0.000002
C2Cl2+ dichloroacetylene cation -996.144299 -996.144301 0.000002
C2H2F2 Ethene, 1,2-difluoro-, (Z)- -277.169145 -277.169147 0.000002
CH3NO nitrosomethane -169.823669 -169.823667 -0.000002
P2 Phosphorus diatomic -682.688943 -682.688945 0.000002
P2 Phosphorus diatomic -682.688943 -682.688945 0.000002
HCS Thioformyl radical -436.804175 -436.804177 0.000002
C6H6 Trimethylenecycopropane -232.125606 -232.125604 -0.000002
AlO Aluminum monoxide -317.672784 -317.672782 -0.000002
CH3ONO Methyl nitrite -245.105050 -245.105052 0.000002
SiH3 Silyl radical -291.235776 -291.235778 0.000002
BBr Boron monobromide -2598.935331 -2598.935333 0.000002
FCO+ Carbonyl fluoride cation -212.750391 -212.750389 -0.000002
FCO+ Carbonyl fluoride cation -212.750391 -212.750389 -0.000002
BeCl beryllium chloride -474.999405 -474.999403 -0.000002
H2O Water -17.155311 -17.155313 0.000002
NF+ nitrogen monofluoirde cation -154.044025 -154.044023 -0.000002
BS- boron monosulfide anion -423.098701 -423.098699 -0.000002
H2S Hydrogen sulfide -399.393581 -399.393579 -0.000002
Ca Calcium atom -674.236815 -674.236817 0.000002
Ca Calcium atom -674.236815 -674.236817 0.000002
H2S Hydrogen sulfide -399.393581 -399.393579 -0.000002
D2S Hydrogen sulfide-d2 -399.393581 -399.393579 -0.000002
C5H5 cyclopentadienyl radical -193.462323 -193.462325 0.000002
C9H12 n-propyl benzene -350.322867 -350.322869 0.000002
Cl+ Chlorine atom cation -459.680049 -459.680051 0.000002
SiH3 Silyl radical -291.235776 -291.235778 0.000002
CH3BO Borane, methyloxo- -140.091316 -140.091314 -0.000002
C5H12S 1-Butanethiol, 2-methyl- -595.952071 -595.952073 0.000002
S Sulfur atom -10.063542 -10.063540 -0.000002
S Sulfur atom -10.063542 -10.063540 -0.000002
NH3 Ammonia -11.695563 -11.695565 0.000002
NH3 Ammonia -11.695563 -11.695565 0.000002
BeCl beryllium chloride -474.999405 -474.999403 -0.000002
BeF+ Beryllium monofluoride cation -114.275878 -114.275876 -0.000002
Mg Magnesium atom -200.098935 -200.098933 -0.000002
SiCl3CH3 methyltrichlorosilane -1710.331567 -1710.331565 -0.000002
N2O- Nitrous oxide anion -184.674912 -184.674910 -0.000002
HOCO Hydrocarboxyl radical -189.089751 -189.089753 0.000002
CO2+ Carbon dioxide cation -188.099633 -188.099631 -0.000002
C4H4N2 1,3-Diazine -264.416094 -264.416096 0.000002
NS- nitrogen sulfide anion -452.958096 -452.958094 -0.000002
C6H2 hexatriyne -229.725580 -229.725578 -0.000002
BS+ boron monosulfide cation -422.550990 -422.550992 0.000002
CH3NO nitrosomethane -169.809092 -169.809090 -0.000002
NH3O Ammonia Oxide -131.672372 -131.672370 -0.000002
LiS Lithium monosulfide -405.747690 -405.747688 -0.000002
BH2- boron dihydride anion -25.947305 -25.947303 -0.000002
C(CH3)3NH2 2-Propanamine, 2-methyl- -213.803110 -213.803108 -0.000002
FCO+ Carbonyl fluoride cation -212.753928 -212.753926 -0.000002
BeOH beryllium hydroxide -90.589583 -90.589581 -0.000002
BeOH beryllium hydroxide -90.074580 -90.074582 0.000002
H2O Water -17.152524 -17.152526 0.000002
BO boron monoxide -100.067066 -100.067063 -0.000002
Mg Magnesium atom -200.098925 -200.098923 -0.000002
BeOH beryllium hydroxide -90.597346 -90.597344 -0.000002
CO2 Carbon dioxide -188.500270 -188.500268 -0.000002
C2H2O2 Ethanedial -227.818629 -227.818631 0.000002
BO boron monoxide -100.067065 -100.067063 -0.000002
CHONH2 formamide -169.965526 -169.965524 -0.000002
C+ Carbon atom cation -36.999028 -36.999030 0.000002
CH2CCHCH3 1,2-Butadiene -156.039734 -156.039736 0.000002
NO3 Nitrogen trioxide -280.336336 -280.336334 -0.000002
NH3 Ammonia -11.690763 -11.690765 0.000002
NH3 Ammonia -11.690763 -11.690765 0.000002
Mg Magnesium atom -200.098935 -200.098933 -0.000002
C3H2N2 Malononitrile -225.063513 -225.063515 0.000002
H2O2 Hydrogen peroxide -151.579217 -151.579219 0.000002
H2O2 Hydrogen peroxide -151.579217 -151.579219 0.000002
CaH Calcium monohydride -678.163509 -678.163507 -0.000002
HCl Hydrogen chloride -460.772969 -460.772971 0.000002
ScH3 Scandium trihydride -762.395404 -762.395406 0.000002
NH2COOH2+ Carbamic acid, O-protonated -245.486111 -245.486109 -0.000002
CH3OH2+ Methanol, protonated -116.015741 -116.015743 0.000002
MgH2 magnesium dihydride -201.247234 -201.247232 -0.000002
C3H3NO Oxazole -246.069878 -246.069880 0.000002
HCl Hydrogen chloride -460.800777 -460.800779 0.000002
HBHHBH Diborane(4) C2V -52.035892 -52.035894 0.000002
C3H3N3 1,3,5-Triazine -280.461810 -280.461812 0.000002
N2H4+ hydrazine cation -111.606702 -111.606704 0.000002
CH2CHNH vinylazine -133.357720 -133.357718 -0.000002
CH3NH2 methyl amine -95.871850 -95.871848 -0.000002
CH3NH2 methyl amine -95.871850 -95.871848 -0.000002
CH3Cl Methyl chloride -500.164476 -500.164478 0.000002
CH3COCH3- acetone anion -193.187173 -193.187175 0.000002
HCl Hydrogen chloride -460.803206 -460.803208 0.000002
CH2FCl fluorochloromethane -599.438128 -599.438126 -0.000002
SH Mercapto radical -398.780220 -398.780218 -0.000002
SH Mercapto radical -398.780220 -398.780218 -0.000002
CP+ carbon monophosphide cation -378.848226 -378.848224 -0.000002
C4H6OS 4,5-dihydrothiophene-2-ol -629.551614 -629.551612 -0.000002
BeS- Beryllium monosulfide anion -413.025942 -413.025940 -0.000002
C5H6 Bicyclo[2.1.0]pent-2-ene -194.096782 -194.096780 -0.000002
CH3CHOH+ acetaldehyde, protonated -154.150906 -154.150904 -0.000002
C2H5 Ethyl radical -79.170103 -79.170105 0.000002
C2H5 Ethyl radical -79.170103 -79.170105 0.000002
CH3CHNH ethanimine -133.951974 -133.951972 -0.000002
NH3NH3 Ammonia Dimer -113.116199 -113.116201 0.000002
H2O2+ Hydrogen peroxide cation -151.216349 -151.216347 -0.000002
H2O3 Hydrogen trioxide -226.785431 -226.785429 -0.000002
NH2CN cyanamide -147.960894 -147.960896 0.000002
HOCO Hydrocarboxyl radical -189.087830 -189.087828 -0.000002
LiCN lithium cyanide -100.393922 -100.393920 -0.000002
AlS Aluminum sulfide -640.618558 -640.618560 0.000002
AlS Aluminum sulfide -640.618558 -640.618560 0.000002
C2H4N4 2H-Tetrazole, 2-methyl- -297.684033 -297.684035 0.000002
CH2CHF Ethene, fluoro- -177.898241 -177.898239 -0.000002
LiF lithium fluoride -107.458324 -107.458322 -0.000002
LiF lithium fluoride -107.458324 -107.458322 -0.000002
H2NCOHNH2+ urea, protonated -224.372480 -224.372478 -0.000002
LiCl- lithium chloride anion -467.867845 -467.867843 -0.000002
C5H5NO 3-Pyridinol -323.630199 -323.630201 0.000002
PH3 Phosphine -343.180548 -343.180550 0.000002
CF Fluoromethylidyne -137.776962 -137.776960 -0.000002
NH2NO Nitrosamide -185.885985 -185.885983 -0.000002
CH3BO Borane, methyloxo- -140.110384 -140.110382 -0.000002
N3- azide anion -164.213093 -164.213095 0.000002
CH2OH+ hydroxymethyl cation -114.782500 -114.782502 0.000002
AlS Aluminum sulfide -640.618562 -640.618560 -0.000002
AlS Aluminum sulfide -640.618562 -640.618560 -0.000002
NO3+ nitrogen trioxide cation -279.745505 -279.745503 -0.000002
CHONH2 formamide -169.888843 -169.888841 -0.000002
CH3OH- Methyl alcohol anion -115.609861 -115.609863 0.000002
CH2CHNH vinylazine -133.298641 -133.298639 -0.000002
CHONH2 formamide -169.888843 -169.888841 -0.000002
NH2CN cyanamide -147.960894 -147.960896 0.000002
C3H7NO dimethylformamide -248.613414 -248.613412 -0.000002
C3H7NO dimethylformamide -248.613414 -248.613412 -0.000002
CH3OHH2O methanol water dimer -192.249974 -192.249972 -0.000002
C2H5 Ethyl radical -79.157866 -79.157868 0.000002
C2H5 Ethyl radical -79.157866 -79.157868 0.000002
CF2+ Difluoromethylene cation -237.381795 -237.381797 0.000002
C3H3NO Oxazole -246.074815 -246.074817 0.000002
H2S Hydrogen sulfide -399.412749 -399.412747 -0.000002
H2S Hydrogen sulfide -399.412749 -399.412747 -0.000002
P2 Phosphorus diatomic -682.754290 -682.754292 0.000002
CH2N4 1H-Tetrazole -258.268050 -258.268048 -0.000002
C6H2 hexatriyne -229.732400 -229.732398 -0.000002
AlS+ aluminum monosulfide cation -640.323827 -640.323825 -0.000002
P2 Phosphorus diatomic -682.754290 -682.754292 0.000002
C4H5N Pyrrole -210.249043 -210.249045 0.000002
C5H8 1,3-Pentadiene, (Z)- -195.309811 -195.309809 -0.000002
HCl Hydrogen chloride -460.803792 -460.803794 0.000002
C2H4F2 1,2-difluoroethane -278.408462 -278.408460 -0.000002
CH2CHNH vinylazine -133.306517 -133.306515 -0.000002
CH2CO Ketene -152.598471 -152.598473 0.000002
CH3Li methyl lithium -47.401122 -47.401120 -0.000002
S Sulfur atom -10.063313 -10.063311 -0.000002
S Sulfur atom -10.063313 -10.063311 -0.000002
CH3S thiomethoxy -438.112959 -438.112957 -0.000002
NO2 Nitrogen dioxide -205.083887 -205.083885 -0.000002
FNO Nitrosyl fluoride -229.723412 -229.723414 0.000002
CHCl2 dichloromethyl radical -959.034828 -959.034826 -0.000002
Si+ Silicon atom cation -289.095738 -289.095740 0.000002
Si+ Silicon atom cation -289.095738 -289.095740 0.000002
CH2CHCHClCH3 1-Butene, 3-chloro- -616.920422 -616.920420 -0.000002
CH3SH Methanethiol -438.755747 -438.755745 -0.000002
CO Carbon monoxide -113.259179 -113.259177 -0.000002
CO Carbon monoxide -113.259179 -113.259177 -0.000002
PH3 Phosphine -343.180548 -343.180550 0.000002
NO Nitric oxide -129.943245 -129.943243 -0.000002
H2O2 Hydrogen peroxide -151.617949 -151.617951 0.000002
N2H4+ hydrazine cation -111.589567 -111.589569 0.000002
N2H2 (Z)-Diazene -110.633856 -110.633858 0.000002
C+ Carbon atom cation -37.427311 -37.427313 0.000002
NO Nitric oxide -129.943245 -129.943243 -0.000002
NO Nitric oxide -129.940522 -129.940520 -0.000002
NO Nitric oxide -129.940522 -129.940520 -0.000002
CHCl2 dichloromethyl radical -959.033304 -959.033302 -0.000002
H2POH Phosphinous acid -418.449253 -418.449251 -0.000002
NH3- Ammonia anion -56.571715 -56.571713 -0.000002
SiHCl3 Trichlorosilane -1670.983980 -1670.983978 -0.000002
C3H8O2 Hydroperoxide, 1-methylethyl -269.604542 -269.604544 0.000002
C6H2 hexatriyne -229.699630 -229.699628 -0.000002
SiH- silicon monohydride anion -290.036151 -290.036153 0.000002
H2O2 Hydrogen peroxide -151.617949 -151.617951 0.000002
O2 Oxygen diatomic -150.320042 -150.320040 -0.000002
O2 Oxygen diatomic -150.320042 -150.320040 -0.000002
SO2+ Sulfur dioxide cation -548.259386 -548.259387 0.000002
Mg Magnesium atom -200.097750 -200.097752 0.000002
NeH neon hydrogen -129.475184 -129.475182 -0.000002
C3H5Cl 1-chloro-1-propene(E) -577.505264 -577.505266 0.000002
HOCH hydroxycarbene -114.401153 -114.401151 -0.000002
C2H3- vinyl anion -77.907852 -77.907854 0.000002
CH2(OH)2 methanediol -191.037783 -191.037781 -0.000002
B Boron atom -24.664860 -24.664862 0.000002
N2H2 (Z)-Diazene -110.627920 -110.627922 0.000002
C3H6O 2-Propen-1-ol -193.120850 -193.120848 -0.000002
CH3CH2CH2CN Butanenitrile -211.401020 -211.401022 0.000002
NeH neon hydrogen -129.475184 -129.475182 -0.000002
SiS2 Silicon disulfide -1080.464603 -1080.464605 0.000002
CH3NO nitrosomethane -168.838925 -168.838927 0.000002
C6H2 hexatriyne -229.665987 -229.665985 -0.000002
CH2CCH2 allene -116.707908 -116.707906 -0.000002
ScH Scandium monohydride -761.234507 -761.234509 0.000002
O2 Oxygen diatomic -150.320042 -150.320040 -0.000002
O2 Oxygen diatomic -150.320042 -150.320040 -0.000002
H3PO Phosphine oxide -418.443142 -418.443140 -0.000002
CS+ carbon monosulfide cation -435.839920 -435.839919 -0.000002
SO+ sulfur monoxide cation -472.967126 -472.967124 -0.000002
C+ Carbon atom cation -37.424283 -37.424285 0.000002
LiH Lithium Hydride -8.081923 -8.081921 -0.000002
LiH Lithium Hydride -8.081923 -8.081921 -0.000002
HOBr Hypobromous acid -2650.034857 -2650.034855 -0.000002
HOBr Hypobromous acid -2650.034857 -2650.034855 -0.000002
CH3NH2 methyl amine -95.871850 -95.871848 -0.000002
CH3NH2 methyl amine -95.871850 -95.871848 -0.000002
Mg Magnesium atom -200.097750 -200.097752 0.000002
BeMg Beryllium Magnesium -213.518832 -213.518834 0.000002
P2 Phosphorus diatomic -682.753208 -682.753210 0.000002
P2 Phosphorus diatomic -682.753208 -682.753210 0.000002
C3H2N2 Malononitrile -225.060533 -225.060535 0.000002
CH3NO nitrosomethane -169.794363 -169.794361 -0.000002
FCO Carbonyl fluoride -213.112171 -213.112169 -0.000002
AlP Aluminum monophosphide -583.759473 -583.759475 0.000002
BeCO3 Beryllium Carbonate -278.662956 -278.662954 -0.000002
SiF3+ Silicon trifluoride cation -588.818563 -588.818561 -0.000002
BeMg Beryllium Magnesium -214.764719 -214.764721 0.000002
C2H3- vinyl anion -77.927875 -77.927877 0.000002
H2O2 Hydrogen peroxide -151.578690 -151.578692 0.000002
CH3NO nitrosomethane -169.798424 -169.798423 -0.000002
Al Aluminum atom -242.365763 -242.365764 0.000002
CH3CH(CH3)CN Propanenitrile, 2-methyl- -211.392815 -211.392813 -0.000002
NH3 Ammonia -56.548280 -56.548282 0.000002
NH3 Ammonia -56.548280 -56.548282 0.000002
H2POH Phosphinous acid -418.451646 -418.451648 0.000002
Al Aluminum atom -242.389511 -242.389513 0.000002
CH2N4 1H-Tetrazole -258.350522 -258.350521 -0.000002
C4H5NO Isoxazole, 5-methyl- -285.359310 -285.359308 -0.000002
BF+ Boron monofluoride cation -124.311291 -124.311289 -0.000002
HOCH2CH2NH2 monoethanolamine -210.379580 -210.379579 -0.000002
H3PO Phosphine oxide -418.438758 -418.438756 -0.000002
C2H5- Ethyl anion -79.157630 -79.157631 0.000002
LiH Lithium Hydride -8.081923 -8.081921 -0.000002
LiH Lithium Hydride -8.081923 -8.081921 -0.000002
CH3NH2 methyl amine -95.873899 -95.873897 -0.000002
CH3NH2 methyl amine -95.873899 -95.873897 -0.000002
NH2COOH Carbamic acid -245.162086 -245.162088 0.000002
C4H10O Ethanol, 1,1-dimethyl- -233.770357 -233.770355 -0.000002
C+ Carbon atom cation -37.432405 -37.432407 0.000002
C+ Carbon atom cation -37.432405 -37.432407 0.000002
HO2+ Hydroperoxy cation -150.462597 -150.462595 -0.000002
CH3OH Methyl alcohol -115.742402 -115.742400 -0.000002
SiF2+ Silicon difluoride cation -488.868898 -488.868900 0.000002
SiF2+ Silicon difluoride cation -488.868898 -488.868900 0.000002
CH3S thiomethoxy -438.059724 -438.059722 -0.000002
H2NCOHNH2+ urea, protonated -225.627819 -225.627817 -0.000002
CH2BH methyleneborane -64.702266 -64.702268 0.000002
CHCl2 dichloromethyl radical -959.039350 -959.039348 -0.000002
C4H2N2 Fumaronitrile -263.087511 -263.087510 -0.000002
H2O Water -76.466197 -76.466198 0.000002
C4H4N2 1,3-Diazine -264.419869 -264.419871 0.000002
NH3- Ammonia anion -56.037313 -56.037314 0.000002
CS carbon monosulfide -436.260769 -436.260767 -0.000002
SiC silicon monocarbide -327.392620 -327.392618 -0.000002
NH3O Ammonia Oxide -131.660962 -131.660960 -0.000002
H2O2 Hydrogen peroxide -151.578690 -151.578692 0.000002
CH3OO+ methylperoxy cation -189.823573 -189.823571 -0.000002
P Phosphorus atom -341.281730 -341.281732 0.000002
HO2+ Hydroperoxy cation -150.462597 -150.462595 -0.000002
C6H8 (E)-hexa-2,3,4-triene -233.369904 -233.369905 0.000002
BeCO3 Beryllium Carbonate -278.652547 -278.652548 0.000002
CH3OH- Methyl alcohol anion -115.677444 -115.677442 -0.000002
C2H4- Ethylene anion -78.544604 -78.544606 0.000002
C6H2 hexatriyne -229.730459 -229.730457 -0.000002
AlP Aluminum monophosphide -583.758483 -583.758485 0.000002
LiCl+ lithium chloride cation -467.481381 -467.481379 -0.000002
HSe- selenium monohydride anion -2399.991740 -2399.991742 0.000002
CH3O- methoxy anion -115.072089 -115.072091 0.000002
NH2COOH Carbamic acid -245.131156 -245.131158 0.000002
P Phosphorus atom -341.281730 -341.281732 0.000002
P Phosphorus atom -341.281730 -341.281732 0.000002
C4H8Cl2 1,4-Dichlorobutane -1077.648319 -1077.648317 -0.000002
H3+ hydrogen trimer cation -1.347261 -1.347260 -0.000002
CH3CH(NH2)CH3 2-Propanamine -174.487272 -174.487274 0.000002
NH2COOH Carbamic acid -245.162087 -245.162089 0.000002
CNH2 CNH2 -93.951734 -93.951735 0.000002
CH2NN diazomethane -148.739257 -148.739259 0.000002
BeOH beryllium hydroxide -90.578625 -90.578623 -0.000002
BeOH beryllium hydroxide -90.578625 -90.578623 -0.000002
FCO+ Carbonyl fluoride cation -211.569662 -211.569660 -0.000002
LiCN lithium cyanide -100.384730 -100.384728 -0.000002
Sc Scandium atom -756.923618 -756.923620 0.000002
NH2COOH Carbamic acid -245.143525 -245.143527 0.000002
CH3OH Methyl alcohol -115.742402 -115.742400 -0.000002
N2H4+ hydrazine cation -111.588828 -111.588830 0.000002
C4H5N (Z)-2-Butenenitrile -210.154020 -210.154018 -0.000002
Se Selenium atom -2399.094512 -2399.094510 -0.000002
ScH Scandium monohydride -761.233730 -761.233731 0.000002
C3H2O2 Propiolic acid -265.918098 -265.918096 -0.000002
OH Hydroxyl radical -74.664591 -74.664590 -0.000002
CH3CH2COOH Propanoic Acid -268.396627 -268.396625 -0.000002
HSO3F Fluorosulfonic acid -724.222206 -724.222204 -0.000002
C4H4 cyclobutadiene -154.686647 -154.686649 0.000002
OH Hydroxyl radical -74.664591 -74.664590 -0.000002
CH2ClBr Methane, bromochloro- -3073.786817 -3073.786819 0.000002
SiCl3+ trichlorosilyl cation -1670.040042 -1670.040040 -0.000002
C3H3NO Oxazole -246.165802 -246.165800 -0.000002
H2OH2O water dimer -152.930791 -152.930793 0.000002
GaAs Gallium arsenide -4140.541267 -4140.541265 -0.000002
CH2+ methylene cation -38.781820 -38.781818 -0.000002
Cu Copper atom -196.116808 -196.116806 -0.000002
HDO Water-d1 -76.466196 -76.466198 0.000002
CH3NH3+ protonated methylamine -96.214865 -96.214867 0.000002
AlC Aluminum carbide -278.802293 -278.802291 -0.000002
LiS Lithium monosulfide -405.708311 -405.708309 -0.000002
LiS Lithium monosulfide -405.708311 -405.708309 -0.000002
F Fluorine atom -99.726599 -99.726601 0.000002
AlH3- aluminum trihydride anion -244.245675 -244.245676 0.000002
NaS Sodium sulfide -560.511806 -560.511808 0.000002
BeH2 beryllium dihydride -15.917469 -15.917467 -0.000002
BeH2 beryllium dihydride -15.917469 -15.917467 -0.000002
C5H4O2 furfural -343.348028 -343.348030 0.000002
ScH+ Scandium monohydride cation -760.995361 -760.995362 0.000002
NaCl+ sodium chloride cation -622.229714 -622.229712 -0.000002
NH3COOH+ protonated Carbamic acid -245.514884 -245.514885 0.000002
C+ Carbon atom cation -37.219745 -37.219747 0.000002
C+ Carbon atom cation -37.219745 -37.219747 0.000002
C3H3NO Oxazole -246.156182 -246.156180 -0.000002
CH3CHNH ethanimine -133.958499 -133.958497 -0.000002
NH2COOH Carbamic acid -245.187491 -245.187493 0.000002
H2OH2O water dimer -152.930791 -152.930793 0.000002
C2H4 Ethylene -78.629625 -78.629624 -0.000002
NH2CONH2 Urea -225.369327 -225.369325 -0.000002
BHCl2 Borane, dichloro- -946.006432 -946.006433 0.000002
BeN+ Beryllium mononitride cation -68.958318 -68.958316 -0.000002
C3H3N2- imidizolyl anion -225.734554 -225.734553 -0.000002
H3Se+ Hydrogen Selenide, protonated -2403.038446 -2403.038448 0.000002
CNOH3 1,2-oxaziridine -169.789480 -169.789482 0.000002
C3H6O 2-Propen-1-ol -193.107848 -193.107846 -0.000002
BH2- boron dihydride anion -25.958772 -25.958774 0.000002
CH3BO Borane, methyloxo- -140.109252 -140.109250 -0.000002
MgF2 Magnesium fluoride -399.949054 -399.949053 -0.000002
HOCH2CH2NH2 monoethanolamine -210.396368 -210.396366 -0.000002
Al Aluminum atom -242.368234 -242.368236 0.000002
Al Aluminum atom -242.368234 -242.368236 0.000002
C2H2O2 Ethanedial -227.835370 -227.835372 0.000002
SO2+ Sulfur dioxide cation -548.143781 -548.143779 -0.000002
BeH2 beryllium dihydride -15.917469 -15.917467 -0.000002
BeH2 beryllium dihydride -15.917469 -15.917467 -0.000002
SF Monosulfur monofluoride -498.039247 -498.039246 -0.000002
C2H6N2O2 Dimethylnitroamine -339.656556 -339.656557 0.000002
Si2 Silicon diatomic -578.868924 -578.868925 0.000002
CH2CHNH vinylazine -133.307101 -133.307099 -0.000002
C3H8O2 Propylene glycol -269.690199 -269.690200 0.000002
C3H3N+ acrylonitrile cation -170.465148 -170.465146 -0.000002
N2H2 (Z)-Diazene -110.638251 -110.638253 0.000002
C4H2N2 Fumaronitrile -263.102541 -263.102539 -0.000002
Al Aluminum atom -242.368234 -242.368236 0.000002
Al Aluminum atom -242.389770 -242.389772 0.000002
LiS Lithium monosulfide -405.710891 -405.710889 -0.000002
ScH+ Scandium monohydride cation -760.996145 -760.996147 0.000002
NH3 Ammonia -56.586877 -56.586878 0.000002
NH3 Ammonia -56.586877 -56.586878 0.000002
CH3CH(CH3)CN Propanenitrile, 2-methyl- -211.383107 -211.383105 -0.000002
O Oxygen atom -75.085386 -75.085384 -0.000002
CH2+ methylene cation -38.768073 -38.768072 -0.000002
PN Phosphorus mononitride -396.117587 -396.117585 -0.000002
HDO Water-d1 -76.466197 -76.466198 0.000002
SiO2 silicon dioxide -439.928113 -439.928115 0.000002
H2CONH2+ protonated formamide -170.292566 -170.292564 -0.000002
C4H9NO Butanamide -287.840638 -287.840636 -0.000002
C3H3N2- imidizolyl anion -225.722014 -225.722012 -0.000002
NH2COOH2+ Carbamic acid, O-protonated -245.560821 -245.560820 -0.000002
CNO- fulminate -167.996058 -167.996056 -0.000002
BHCl2 Borane, dichloro- -946.005321 -946.005323 0.000002
SF Monosulfur monofluoride -498.039247 -498.039246 -0.000002
BCl boron monochloride -485.027968 -485.027970 0.000002
C3H3+ cyclopropenyl cation -115.774472 -115.774470 -0.000002
Al Aluminum atom -242.368234 -242.368235 0.000002
PS+ phosphorus monosulfide cation -739.218675 -739.218677 0.000002
CNOH3 1,2-oxaziridine -169.794476 -169.794478 0.000002
NH2COOH2+ Carbamic acid, O-protonated -245.572719 -245.572720 0.000002
Al Aluminum atom -242.389786 -242.389787 0.000002
AsO Arsenic monoxide -2308.920435 -2308.920436 0.000002
SiH Silylidyne -290.017646 -290.017644 -0.000002
ClCO carbonyl monochloride -573.525786 -573.525788 0.000002
AlH+ aluminum monohydride cation -242.681107 -242.681108 0.000002
CH2CHNH2 aminoethene -133.942723 -133.942725 0.000002
CH2+ methylene cation -38.774644 -38.774642 -0.000002
CH2CHCHCH2 1,3-Butadiene -156.051795 -156.051793 -0.000002
LiCN lithium cyanide -100.382693 -100.382691 -0.000002
ScH+ Scandium monohydride cation -760.992337 -760.992339 0.000002
NO3 Nitrogen trioxide -280.330496 -280.330494 -0.000002
C2H4 Ethylene -78.624065 -78.624063 -0.000002
BCl- boron monochloride anion -485.033073 -485.033075 0.000002
C6H2 hexatriyne -229.657002 -229.657001 -0.000002
H2OCH3OH water methanol dimer -192.178895 -192.178893 -0.000002
SH Mercapto radical -398.781207 -398.781206 -0.000002
SH Mercapto radical -398.781207 -398.781206 -0.000002
PPO PPO -757.986330 -757.986329 -0.000002
CCl carbon monochloride -498.131262 -498.131263 0.000002
CCl carbon monochloride -498.131262 -498.131263 0.000002
Cl- Chlorine atom anion -460.310516 -460.310514 -0.000002
CH3OH- Methyl alcohol anion -115.676874 -115.676873 -0.000002
CH2N4 1H-Tetrazole -256.787391 -256.787390 -0.000002
SiCl3CH3 methyltrichlorosilane -1710.334024 -1710.334022 -0.000002
H2NCH2COOH Glycine -284.423454 -284.423456 0.000002
H2O2 Hydrogen peroxide -151.611682 -151.611683 0.000002
H2O2 Hydrogen peroxide -151.611682 -151.611683 0.000002
P- Phosphorus atom anion -341.321620 -341.321618 -0.000002
NH3NH3 Ammonia Dimer -113.175052 -113.175054 0.000002
CH3NC methyl isocyanide -132.771112 -132.771111 -0.000002
NO Nitric oxide -129.926702 -129.926701 -0.000002
NO Nitric oxide -129.926702 -129.926701 -0.000002
C6H6 Fulvene -232.279365 -232.279366 0.000002
NO Nitric oxide -129.926702 -129.926701 -0.000002
NO Nitric oxide -129.926702 -129.926701 -0.000002
H2O2 Hydrogen peroxide -151.611682 -151.611683 0.000002
H2O2 Hydrogen peroxide -151.611682 -151.611683 0.000002
CNOH3 1,2-oxaziridine -169.822241 -169.822243 0.000002
C3H3- Propargyl anion -116.007373 -116.007375 0.000002
CH2CHCHO Acrolein -191.911973 -191.911972 -0.000002
CHOCHCHCH3 2-Butenal -231.234183 -231.234182 -0.000002
CH3NO nitrosomethane -169.805567 -169.805565 -0.000002
C3H3N+ acrylonitrile cation -170.465148 -170.465146 -0.000002
SiH Silylidyne -290.017645 -290.017644 -0.000002
C4H2N2 Fumaronitrile -263.069803 -263.069801 -0.000002
CH2(OH)2 methanediol -190.955437 -190.955439 0.000002
N2O Nitrous oxide -183.603255 -183.603253 -0.000002
N2O Nitrous oxide -183.603255 -183.603253 -0.000002
C5H9N Propanenitrile, 2,2-dimethyl- -250.793540 -250.793542 0.000002
C4H2N2 Fumaronitrile -263.072916 -263.072915 -0.000002
C4H3ClO Furan, 2-chloro -689.693738 -689.693736 -0.000002
CH3CHO Acetaldehyde -153.830118 -153.830120 0.000002
C2H2O Oxirene -152.537028 -152.537029 0.000002
C5H7N 1H-Pyrrole, 1-methyl- -249.574412 -249.574414 0.000002
CNOH3 1,2-oxaziridine -169.810202 -169.810203 0.000002
LiN Lithium Nitride -62.068544 -62.068546 0.000002
Sc+ Scandium cation -756.686692 -756.686693 0.000002
C3H7 Isopropyl radical -118.493539 -118.493540 0.000002
C3H7 Isopropyl radical -118.493539 -118.493540 0.000002
C6H12 (Z)-hex-3-ene -235.943969 -235.943967 -0.000002
BH2- boron dihydride anion -25.949810 -25.949812 0.000002
N2O+ Nitrous oxide cation -184.262992 -184.262990 -0.000002
O Oxygen atom -75.095258 -75.095257 -0.000002
HCF Fluoromethylene -138.415964 -138.415962 -0.000002
PCl- phosphorus monochloride anion -801.631432 -801.631431 -0.000002
C6H2 hexatriyne -229.732400 -229.732398 -0.000002
P2 Phosphorus diatomic -682.733410 -682.733411 0.000002
H2CO Formaldehyde -114.500471 -114.500473 0.000002
C2H5OO ethylperoxy radical -229.631689 -229.631687 -0.000002
C6H6O 2,5-Cyclohexadienone -307.561020 -307.561018 -0.000002
NaLi+ lithium sodium cation -169.628397 -169.628398 0.000002
CH3BO Borane, methyloxo- -140.063598 -140.063596 -0.000002
CH2F fluoromethyl radical -139.064267 -139.064265 -0.000002
CH3OH- Methyl alcohol anion -115.641586 -115.641584 -0.000002
HCl+ hydrogen chloride cation -460.375571 -460.375572 0.000002
CF2Cl2 difluorodichloromethane -1158.338760 -1158.338758 -0.000002
CH3NO2 Methane, nitro- -245.009333 -245.009331 -0.000002
FCO Carbonyl fluoride -213.110453 -213.110451 -0.000002
SiH3 Silyl radical -291.232261 -291.232263 0.000002
H2OH2O water dimer -152.939678 -152.939680 0.000002
H2CN H2CN -93.996928 -93.996929 0.000002
F Fluorine atom -99.730593 -99.730595 0.000002
NaS Sodium sulfide -560.475264 -560.475262 -0.000002
NaS Sodium sulfide -560.475264 -560.475262 -0.000002
C2H6 Ethane -78.885902 -78.885904 0.000002
NO2 Nitrogen dioxide -205.160469 -205.160467 -0.000002
BS boron sulfide -423.013204 -423.013205 0.000002
CH3CHOH+ acetaldehyde, protonated -154.197334 -154.197332 -0.000002
CH2BOH hydroxy(methylene)borane -139.989275 -139.989277 0.000002
SiC silicon monocarbide -327.395752 -327.395750 -0.000002
CH3CHCHCH3 2-Butene, (Z)- -157.287530 -157.287531 0.000002
CF3CF2Cl pentafluorochloroethane -1035.888296 -1035.888298 0.000002
SiH3 Silyl radical -291.232261 -291.232263 0.000002
CD3Cl methyl chloride d3 -500.164477 -500.164478 0.000002
NS- nitrogen sulfide anion -452.958095 -452.958094 -0.000002
H2S Hydrogen sulfide -399.432264 -399.432262 -0.000002
CH2+ methylene cation -38.770887 -38.770885 -0.000002
H2OH2O water dimer -152.939678 -152.939680 0.000002
BBr Boron monobromide -2598.938663 -2598.938665 0.000002
LiCN lithium cyanide -100.414931 -100.414933 0.000002
CH2N4 1H-Tetrazole -258.345522 -258.345521 -0.000002
CH2CHNH2 aminoethene -134.008993 -134.008995 0.000002
BS boron sulfide -423.013204 -423.013205 0.000002
BO boron monoxide -100.024137 -100.024135 -0.000002
BO boron monoxide -100.024137 -100.024135 -0.000002
SO Sulfur monoxide -473.352489 -473.352491 0.000002
SO Sulfur monoxide -473.352489 -473.352491 0.000002
SiH Silylidyne -290.017160 -290.017158 -0.000002
SiH Silylidyne -290.017160 -290.017158 -0.000002
C4H8O Cyclobutanol -232.520524 -232.520523 -0.000002
CH2+ methylene cation -38.782431 -38.782429 -0.000002
C2H5- Ethyl anion -79.123260 -79.123259 -0.000002
CH3BO Borane, methyloxo- -140.054755 -140.054753 -0.000002
H2NO nitroxide -131.095487 -131.095485 -0.000002
C4H8O Cyclobutanol -232.425002 -232.425003 0.000002
H2NO nitroxide -131.089333 -131.089332 -0.000002
H2NCOHNH2+ urea, protonated -225.715503 -225.715504 0.000002
O2 Oxygen diatomic -150.332301 -150.332299 -0.000002
O2 Oxygen diatomic -150.332301 -150.332299 -0.000002
HPO HPO -417.215589 -417.215587 -0.000002
O Oxygen atom -75.064579 -75.064578 -0.000002
BN boron nitride -78.970498 -78.970497 -0.000002
C6H5OH phenol -307.590315 -307.590313 -0.000002
BN boron nitride -78.970498 -78.970497 -0.000002
TiO Titanium monoxide -924.663947 -924.663948 0.000002
D2O Deuterium oxide -76.466197 -76.466198 0.000002
H2S Hydrogen sulfide -399.432264 -399.432262 -0.000002
D2S Hydrogen sulfide-d2 -399.432264 -399.432262 -0.000002
SiC silicon monocarbide -327.413416 -327.413414 -0.000002
C2H6N2O2 Dimethylnitroamine -339.795357 -339.795358 0.000002
CH2N4 1H-Tetrazole -258.255955 -258.255954 -0.000002
CO2+ Carbon dioxide cation -188.080039 -188.080038 -0.000002
C3H3N+ acrylonitrile cation -170.450556 -170.450555 -0.000002
BO- boron monoxide anion -100.162150 -100.162148 -0.000002
CH3CHOH+ acetaldehyde, protonated -153.285854 -153.285856 0.000002
C4H3ClO Furan, 2-chloro -686.136888 -686.136887 -0.000002
CO2+ Carbon dioxide cation -188.080039 -188.080038 -0.000002
LiCl lithium chloride -467.825546 -467.825548 0.000002
LiC Lithium Carbide -45.426682 -45.426681 -0.000002
CH2OH Hydroxymethyl radical -115.110002 -115.110004 0.000002
CH2OH Hydroxymethyl radical -115.110002 -115.110004 0.000002
HN3 hydrogen azide -164.854466 -164.854464 -0.000002
B2Cl4 Diboron tetrachloride -1890.769577 -1890.769575 -0.000002
B2Cl4 Diboron tetrachloride -1890.769577 -1890.769575 -0.000002
BeMg Beryllium Magnesium -214.765101 -214.765103 0.000002
C3H3N+ acrylonitrile cation -170.450556 -170.450555 -0.000002
NO2 Nitrogen dioxide -205.155955 -205.155953 -0.000002
H2S Hydrogen sulfide -399.431047 -399.431046 -0.000002
H2S Hydrogen sulfide -399.431047 -399.431046 -0.000002
VO Vanadium monoxide -1014.233526 -1014.233527 0.000002
Al Aluminum atom -1.938623 -1.938625 0.000002
C2H4- Ethylene anion -78.476292 -78.476294 0.000002
C2H4O Ethylene oxide -153.786260 -153.786262 0.000002
CH2FCl fluorochloromethane -599.433637 -599.433635 -0.000002
C3H3N+ acrylonitrile cation -170.458295 -170.458294 -0.000002
CH2+ methylene cation -38.782279 -38.782277 -0.000002
C3H3N+ acrylonitrile cation -170.458295 -170.458294 -0.000002
HDO Water-d1 -76.434047 -76.434049 0.000002
ClONO chlorine nitrite -665.239744 -665.239742 -0.000002
ClONO chlorine nitrite -665.239744 -665.239742 -0.000002
C3H4O2 propanedial -267.250515 -267.250514 -0.000002
Se- Selenium atom anion -2399.359277 -2399.359275 -0.000002
C2H4CO3 Ethylene carbonate -342.416776 -342.416778 0.000002
ScH+ Scandium monohydride cation -760.991507 -760.991509 0.000002
H2S- Hydrogen sulfide anion -399.378224 -399.378222 -0.000002
CH3BO Borane, methyloxo- -140.049947 -140.049946 -0.000002
C3H3N+ acrylonitrile cation -170.450556 -170.450555 -0.000002
H2NO nitroxide -130.352307 -130.352306 -0.000002
AlH3 aluminum trihydride -244.206939 -244.206938 -0.000002
AlH3 aluminum trihydride -244.206939 -244.206938 -0.000002
AlF3 Aluminum trifluoride -542.170252 -542.170250 -0.000002
AlF3 Aluminum trifluoride -542.170252 -542.170250 -0.000002
AlF3 Aluminum trifluoride -542.170252 -542.170250 -0.000002
AlF3 Aluminum trifluoride -542.170252 -542.170250 -0.000002
CH3CHOH+ acetaldehyde, protonated -154.148342 -154.148340 -0.000002
PPO PPO -757.989209 -757.989207 -0.000002
AlH3 aluminum trihydride -244.208468 -244.208467 -0.000002
AlH3 aluminum trihydride -244.208468 -244.208467 -0.000002
NH3- Ammonia anion -56.484829 -56.484830 0.000002
CH3NO nitrosomethane -169.862246 -169.862245 -0.000002
SiP Silicon monophosphide -630.753742 -630.753741 -0.000002
CH3CH(CH3)CH3 Isobutane -158.458808 -158.458809 0.000002
CH3CH(CH3)CH3 Isobutane -158.458808 -158.458809 0.000002
HN3 hydrogen azide -164.851016 -164.851015 -0.000002
H2CONH2+ protonated formamide -170.294268 -170.294266 -0.000002
He- Helium atom anion -2.816115 -2.816117 0.000002
C6H12 (E)-2-Hexene -235.854339 -235.854341 0.000002
C3H3N+ acrylonitrile cation -170.450556 -170.450555 -0.000002
AlF3 Aluminum trifluoride -542.170252 -542.170250 -0.000002
AlF3 Aluminum trifluoride -542.170252 -542.170250 -0.000002
C3H7N Cyclopropylamine -173.264891 -173.264890 -0.000002
NCl3 nitrogen trichloride -1435.353458 -1435.353457 -0.000002
H2O2+ Hydrogen peroxide cation -151.218211 -151.218210 -0.000002
Se+ Selenium atom cation -2398.948298 -2398.948296 -0.000002
C5H8 Spiropentane -195.271522 -195.271523 0.000002
C3H7 Isopropyl radical -118.478154 -118.478156 0.000002
C3H7 Isopropyl radical -118.478154 -118.478156 0.000002
C3H7 Isopropyl radical -118.478154 -118.478156 0.000002
C3H7 Isopropyl radical -118.478154 -118.478156 0.000002
SiC silicon monocarbide -327.412631 -327.412629 -0.000002
HNO2 Nitrous acid -205.791803 -205.791801 -0.000002
CH3OH Methyl alcohol -115.714407 -115.714406 -0.000002
SiH- silicon monohydride anion -290.036152 -290.036153 0.000002
CH3NO nitrosomethane -169.859986 -169.859984 -0.000002
LiCN lithium cyanide -100.374426 -100.374424 -0.000002
LiCN lithium cyanide -100.374426 -100.374424 -0.000002
CH3CH(CH3)CN Propanenitrile, 2-methyl- -211.401259 -211.401257 -0.000002
CH2+ methylene cation -38.771761 -38.771760 -0.000002
C3H4 cyclopropene -116.619040 -116.619041 0.000002
C2H5OO ethylperoxy radical -229.535017 -229.535019 0.000002
C5H8 Cyclobutane, methylene- -195.295189 -195.295190 0.000002
CH2CHF Ethene, fluoro- -177.901976 -177.901974 -0.000002
CH3CHCH 1-propenyl radical -117.270528 -117.270527 -0.000002
HNO2 Nitrous acid -205.785994 -205.785993 -0.000002
CO2 Carbon dioxide -188.598469 -188.598467 -0.000001
NCO- cyanate -168.199905 -168.199906 0.000001
SiS silicon monosulfide -687.695073 -687.695074 0.000001
C2H3- vinyl anion -77.891158 -77.891160 0.000001
BeH- berylium monohydride anion -15.285853 -15.285854 0.000001
NH2COOH Carbamic acid -245.241309 -245.241307 -0.000001
H2S Hydrogen sulfide -399.431047 -399.431046 -0.000001
H2S Hydrogen sulfide -399.431047 -399.431046 -0.000001
NO2 Nitrogen dioxide -205.160469 -205.160467 -0.000001
HCl Hydrogen chloride -458.589127 -458.589126 -0.000001
CHONH2 formamide -169.925370 -169.925369 -0.000001
CD3Cl methyl chloride d3 -500.128529 -500.128530 0.000001
C4H5NS 4-Methylthiazole -608.368503 -608.368501 -0.000001
B2H4 Diborane(4) D2d -52.044465 -52.044463 -0.000001
C3H7 Isopropyl radical -118.527412 -118.527414 0.000001
CH2CCHCH3 1,2-Butadiene -155.992804 -155.992805 0.000001
AlH3 aluminum trihydride -242.862539 -242.862540 0.000001
AlH3 aluminum trihydride -242.862539 -242.862540 0.000001
CH3OO methylperoxy radical -190.297723 -190.297725 0.000001
IBr Iodine monobromide -24.810806 -24.810807 0.000001
IBr Iodine monobromide -24.810806 -24.810807 0.000001
CH3Cl Methyl chloride -500.108535 -500.108534 -0.000001
CH3OH- Methyl alcohol anion -115.642996 -115.642994 -0.000001
Mg2+ magnesium dimer cation -399.963085 -399.963087 0.000001
CH3- methyl anion -39.847384 -39.847385 0.000001
CH3- methyl anion -39.847384 -39.847385 0.000001
C3H7 Isopropyl radical -118.527412 -118.527414 0.000001
BO- boron monoxide anion -100.080528 -100.080526 -0.000001
SiH2Cl2 dichlorosilane -1211.185588 -1211.185587 -0.000001
SiH2Cl2 dichlorosilane -1211.185588 -1211.185587 -0.000001
SiH2Cl2 dichlorosilane -1211.259549 -1211.259548 -0.000001
SiH2Cl2 dichlorosilane -1211.259549 -1211.259548 -0.000001
CH2+ methylene cation -38.772101 -38.772100 -0.000001
C+ Carbon atom cation -37.426972 -37.426973 0.000001
HClO4 perchloric acid -761.296747 -761.296746 -0.000001
N2H4+ hydrazine cation -111.576287 -111.576289 0.000001
CH3OH- Methyl alcohol anion -115.610229 -115.610231 0.000001
BH2- boron dihydride anion -25.945343 -25.945341 -0.000001
SiH3 Silyl radical -291.249491 -291.249492 0.000001
C3H5 Allyl radical -19.860863 -19.860861 -0.000001
CH2+ methylene cation -38.769647 -38.769646 -0.000001
CHONH2 formamide -169.925370 -169.925369 -0.000001
AlP Aluminum monophosphide -583.743687 -583.743686 -0.000001
SiHCl3 Trichlorosilane -1670.981962 -1670.981960 -0.000001
AlO+ aluminum monoxide cation -317.291625 -317.291623 -0.000001
CH3Cl Methyl chloride -500.165805 -500.165806 0.000001
CH3CHCH 1-propenyl radical -117.226440 -117.226441 0.000001
CHClCHCH2CH3 (E)-1-Chloro-1-butene -616.818931 -616.818929 -0.000001
CH3CH2CH2CN Butanenitrile -211.405839 -211.405841 0.000001
SH- mercapto anion -398.867126 -398.867125 -0.000001
H2S- Hydrogen sulfide anion -399.346447 -399.346448 0.000001
C2N2 Cyanogen -185.678218 -185.678220 0.000001
C2N2 Cyanogen -185.678218 -185.678220 0.000001
CH2N4 1H-Tetrazole -258.250905 -258.250903 -0.000001
H3+ hydrogen trimer cation -1.328359 -1.328357 -0.000001
SH Mercapto radical -398.788689 -398.788688 -0.000001
CH3CH2CHO Propanal -193.222476 -193.222477 0.000001
CH3CHCHCH2 methylallyl radical -156.580636 -156.580634 -0.000001
C2N2 Cyanogen -185.704672 -185.704673 0.000001
C2N2 Cyanogen -185.704672 -185.704673 0.000001
C3H4N2 1H-Pyrazole -226.198601 -226.198599 -0.000001
CH3OH2+ Methanol, protonated -116.074452 -116.074454 0.000001
H2NO nitroxide -131.124106 -131.124104 -0.000001
C2H6 Ethane -79.831759 -79.831761 0.000001
CH3BO Borane, methyloxo- -140.107641 -140.107639 -0.000001
NO2 Nitrogen dioxide -205.155955 -205.155953 -0.000001
CO2 Carbon dioxide -185.983946 -185.983945 -0.000001
ScH3 Scandium trihydride -762.392040 -762.392041 0.000001
NH2CH2NH2 diaminomethane -151.276153 -151.276152 -0.000001
SiH2+ silicon dihydride cation -290.312681 -290.312682 0.000001
H2OCH3OH water methanol dimer -191.071860 -191.071861 0.000001
CO2 Carbon dioxide -188.614214 -188.614213 -0.000001
CN2 3H-Diazirin-3-ylidene -147.431456 -147.431457 0.000001
CH3OHH2O methanol water dimer -192.178049 -192.178047 -0.000001
CH2CHCH3 Propene -116.477026 -116.477024 -0.000001
CH2+ methylene cation -38.551961 -38.551959 -0.000001
N2O3 Dinitrogen trioxide -335.111219 -335.111220 0.000001
N2O- Nitrous oxide anion -184.641574 -184.641573 -0.000001
CNH2 CNH2 -93.927101 -93.927102 0.000001
SiH2Cl2 dichlorosilane -1211.185588 -1211.185587 -0.000001
SiH2Cl2 dichlorosilane -1211.185588 -1211.185587 -0.000001
C3H6S Thietane -516.176519 -516.176518 -0.000001
C4H4 cyclobutadiene -154.734985 -154.734986 0.000001
H2OH2O water dimer -152.939678 -152.939679 0.000001
H2CONH2+ protonated formamide -170.215219 -170.215218 -0.000001
H2NO nitroxide -130.352307 -130.352306 -0.000001
Na+ Sodium atom cation -162.087523 -162.087522 -0.000001
H2NCOHNH2+ urea, protonated -225.704159 -225.704160 0.000001
CH2CHCHO Acrolein -191.929923 -191.929921 -0.000001
H2OH2O water dimer -152.939678 -152.939679 0.000001
CNO- fulminate -168.092097 -168.092096 -0.000001
H2S Hydrogen sulfide -399.435751 -399.435750 -0.000001
HCCF+ fluoroacetylene cation -176.139300 -176.139299 -0.000001
C6H2 hexatriyne -229.656590 -229.656588 -0.000001
C2H6O3S Sulfurous acid, dimethyl ester -703.801874 -703.801873 -0.000001
ScH Scandium monohydride -761.230308 -761.230309 0.000001
H2OH2CO water formaldehyde dimer -191.021229 -191.021228 -0.000001
Na Sodium atom -162.290304 -162.290305 0.000001
C2H+ Ethynyl cation -76.092600 -76.092599 -0.000001
BeN Beryllium mononitride -69.352000 -69.351999 -0.000001
LiCl lithium chloride -467.833093 -467.833095 0.000001
LiCl lithium chloride -467.833093 -467.833095 0.000001
Na+ Sodium atom cation -162.087461 -162.087460 -0.000001
FCO+ Carbonyl fluoride cation -212.815325 -212.815323 -0.000001
Na+ Sodium atom cation -162.087461 -162.087460 -0.000001
CH2CO Ketene -152.663893 -152.663894 0.000001
NH2CH2CH2COOH β–alanine -323.740329 -323.740328 -0.000001
NaS Sodium sulfide -560.508516 -560.508514 -0.000001
C3H5 Allyl radical -19.884754 -19.884752 -0.000001
He2+ helium dimer cation -5.014544 -5.014546 0.000001
CH3OH Methyl alcohol -115.714407 -115.714406 -0.000001
C2H+ Ethynyl cation -76.095496 -76.095495 -0.000001
C3H5 Allyl radical -19.860862 -19.860861 -0.000001
O2 Oxygen diatomic -150.288191 -150.288190 -0.000001
H2O3 Hydrogen trioxide -226.792414 -226.792413 -0.000001
NO Nitric oxide -128.133185 -128.133184 -0.000001
NaLi lithium sodium -169.800450 -169.800451 0.000001
CH3CHOH+ acetaldehyde, protonated -154.173144 -154.173143 -0.000001
H2CCCCH2 Butatriene -154.793953 -154.793951 -0.000001
O2 Oxygen diatomic -150.327577 -150.327576 -0.000001
O2 Oxygen diatomic -150.327577 -150.327576 -0.000001
Na Sodium atom -162.286780 -162.286778 -0.000001
Si Silicon atom -289.396332 -289.396333 0.000001
SiHCl3 Trichlorosilane -1670.828417 -1670.828415 -0.000001
SiF3+ Silicon trifluoride cation -588.908122 -588.908123 0.000001
C2H4 Ethylene -78.587457 -78.587459 0.000001
ClCO carbonyl monochloride -573.535458 -573.535457 -0.000001
NHCHNH2 aminomethanimine -150.074750 -150.074751 0.000001
C2H4O Ethylene oxide -153.800832 -153.800833 0.000001
C2H3- vinyl anion -77.896253 -77.896254 0.000001
N2 Nitrogen diatomic -108.056037 -108.056035 -0.000001
NH3 Ammonia -56.588857 -56.588858 0.000001
NH3 Ammonia -56.588857 -56.588858 0.000001
N2 Nitrogen diatomic -108.056037 -108.056035 -0.000001
Na Sodium atom -162.286630 -162.286629 -0.000001
NO Nitric oxide -129.888156 -129.888155 -0.000001
NO Nitric oxide -129.888156 -129.888155 -0.000001
NO Nitric oxide -129.888156 -129.888155 -0.000001
NO Nitric oxide -129.888156 -129.888155 -0.000001
Si Silicon atom -289.396771 -289.396773 0.000001
AlH3 aluminum trihydride -244.225986 -244.225985 -0.000001
AlH3 aluminum trihydride -244.225986 -244.225985 -0.000001
SF Monosulfur monofluoride -497.948812 -497.948814 0.000001
SF Monosulfur monofluoride -497.948812 -497.948814 0.000001
NO Nitric oxide -128.133185 -128.133184 -0.000001
NH2COOH Carbamic acid -245.155835 -245.155836 0.000001
SiH2- silicon dihydride anion -290.687548 -290.687550 0.000001
H2CS Thioformaldehyde -437.468494 -437.468495 0.000001
AlH2+ aluminum dihydride cation -243.330588 -243.330587 -0.000001
SiH2- silicon dihydride anion -290.642925 -290.642924 -0.000001
C6H6 Trimethylenecycopropane -232.113638 -232.113637 -0.000001
ClF3 Chlorine trifluoride -759.504234 -759.504233 -0.000001
CH3CHCH 1-propenyl radical -117.220384 -117.220385 0.000001
N2O+ Nitrous oxide cation -184.189288 -184.189287 -0.000001
C3H3 Propargyl radical -116.050369 -116.050370 0.000001
C3H3 Propargyl radical -116.050369 -116.050370 0.000001
BF+ Boron monofluoride cation -124.261702 -124.261701 -0.000001
SF Monosulfur monofluoride -497.948812 -497.948813 0.000001
SF Monosulfur monofluoride -497.948812 -497.948813 0.000001
ClCO carbonyl monochloride -573.549046 -573.549044 -0.000001
C5H5NO 2(3H)-Pyridinone -323.603746 -323.603745 -0.000001
MgF2 Magnesium fluoride -399.912952 -399.912950 -0.000001
BO+ boron monoxide cation -99.580781 -99.580780 -0.000001
BeMg Beryllium Magnesium -214.766744 -214.766745 0.000001
HCCOH ethynol -152.607779 -152.607778 -0.000001
H2OHCOOH Water formic acid dimer 2 -264.690943 -264.690945 0.000001
C3H5 Allyl radical -19.884754 -19.884752 -0.000001
SiH2(CH3)2 dimethylsilane -370.606665 -370.606663 -0.000001
Al Aluminum atom -242.389511 -242.389513 0.000001
HF- hydrogen fluoride anion -100.300306 -100.300305 -0.000001
Si Silicon atom -289.396757 -289.396758 0.000001
H2O Water -76.464155 -76.464156 0.000001
BeCl+ beryllium monochloride cation -474.633257 -474.633255 -0.000001
CH2BH methyleneborane -64.713735 -64.713736 0.000001
HOCH hydroxycarbene -114.461229 -114.461228 -0.000001
CH3CH2COOH Propanoic Acid -268.514227 -268.514226 -0.000001
Si Silicon atom -3.753278 -3.753277 -0.000001
H2CN H2CN -93.982443 -93.982444 0.000001
B2H4 Diborane(4) D2d -52.064799 -52.064798 -0.000001
C6H2 hexatriyne -229.644035 -229.644034 -0.000001
AlH3 aluminum trihydride -244.219308 -244.219307 -0.000001
H2O Water -75.322774 -75.322775 0.000001
C3O2 Carbon suboxide -264.828376 -264.828378 0.000001
F Fluorine atom -99.739494 -99.739495 0.000001
SiP Silicon monophosphide -630.803339 -630.803337 -0.000001
CH3OHH2O methanol water dimer -191.071582 -191.071581 -0.000001
C2H6N2O Urea, methyl- -264.682038 -264.682037 -0.000001
H2O Water -76.463325 -76.463327 0.000001
NH2COOH Carbamic acid -245.241306 -245.241307 0.000001
S Sulfur atom -10.064816 -10.064815 -0.000001
S Sulfur atom -10.064816 -10.064815 -0.000001
SiH4 Silane -291.918664 -291.918665 0.000001
CH2BH methyleneborane -64.688735 -64.688737 0.000001
CH2+ methylene cation -38.555453 -38.555452 -0.000001
CH2+ methylene cation -38.555453 -38.555452 -0.000001
Cl2- chlorine diatomic anion -920.533482 -920.533483 0.000001
NH2COOH Carbamic acid -245.187492 -245.187493 0.000001
C2H4F2 1,2-difluoroethane -278.278594 -278.278595 0.000001
C2H5F fluoroethane -179.056423 -179.056422 -0.000001
H2CN H2CN -94.019630 -94.019631 0.000001
C2N2 Cyanogen -185.722443 -185.722444 0.000001
C2N2 Cyanogen -185.722443 -185.722444 0.000001
H2O2 Hydrogen peroxide -151.558408 -151.558409 0.000001
H2O2 Hydrogen peroxide -151.558408 -151.558409 0.000001
CH2NH2+ methyleneamine cation -95.015143 -95.015145 0.000001
C4H2N2 Fumaronitrile -261.622302 -261.622304 0.000001
LiS+ Lithium sulfide cation -405.441930 -405.441928 -0.000001
Si Silicon atom -289.358712 -289.358711 -0.000001
ND3 Ammonia-d3 -56.588857 -56.588858 0.000001
C6H5NO2 Nitrobenzene -436.911573 -436.911571 -0.000001
ClCO carbonyl monochloride -573.551491 -573.551489 -0.000001
CH2+ methylene cation -38.786500 -38.786498 -0.000001
NS Mononitrogen monosulfide -450.580274 -450.580276 0.000001
NS Mononitrogen monosulfide -450.580274 -450.580276 0.000001
C3H5 Allyl radical -115.818491 -115.818492 0.000001
H2O2 Hydrogen peroxide -151.558408 -151.558409 0.000001
H2O2 Hydrogen peroxide -151.558408 -151.558409