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Release 22May 2022
NIST Standard Reference Database 101
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III.G.11.

Comparison of polarizabilities for HF/6-31G*

species name calculated experimental difference
C4H8O2 Butanoic acid 6.565    
CaO Calcium monoxide -18.654 2.841 -21.495
C60 Buckminsterfullerene 64.743 79.000 -14.257
C24H12 Coronene 35.504 42.499 -6.995
C16H10 Pyrene 23.360 29.720 -6.360
C16H10 Pyrene 23.360 29.720 -6.359
C14H10 Anthracene 21.105 26.700 -5.595
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 12.624 17.886 -5.262
NaLi lithium sodium 34.798 39.999 -5.202
NaLi lithium sodium 34.798 39.999 -5.202
SiH3Cl chlorosilane 4.078 9.113 -5.035
SiH3Cl chlorosilane 4.078 9.113 -5.035
SiH3Cl chlorosilane 4.079 9.113 -5.034
SiH3Cl chlorosilane 4.079 9.113 -5.034
CH3CHClCH2CH3 Butane, 2-chloro- 7.480 12.499 -5.019
CH3CHClCH2CH3 Butane, 2-chloro- 7.480 12.499 -5.019
CH3CHClCH2CH3 Butane, 2-chloro- 7.480 12.499 -5.019
C14H10 Phenanthrene 19.927 24.779 -4.852
TiCl4 Titanium tetrachloride 10.157 15.001 -4.844
TiCl4 Titanium tetrachloride 10.157 15.001 -4.844
ClF3 Chlorine trifluoride 2.790 7.483 -4.693
ClF3 Chlorine trifluoride 2.795 7.483 -4.688
C6H5Br bromobenzene 10.316 14.700 -4.384
C6H5Br bromobenzene 10.316 14.700 -4.384
CH2ClCH2CH3 Propane, 1-chloro- 5.953 10.000 -4.047
CH2ClCH2CH3 Propane, 1-chloro- 5.956 10.000 -4.044
ClF3 Chlorine trifluoride 3.492 7.483 -3.991
CH2ClCH2CH3 Propane, 1-chloro- 6.015 10.000 -3.985
CH2ClCH2CH3 Propane, 1-chloro- 6.015 10.000 -3.985
CH2ClCH2CH3 Propane, 1-chloro- 6.015 10.000 -3.985
PBr3 Phosphorus tribromide 10.462 14.380 -3.917
CH2ClCH2CH2CH3 Butane, 1-chloro- 7.529 11.301 -3.771
CH2ClCH2CH2CH3 Butane, 1-chloro- 7.529 11.301 -3.771
CH2ClCH2CH2CH3 Butane, 1-chloro- 7.530 11.301 -3.771
(CH3)3CC(CH3)3 tetramethylbutane 11.851 15.610 -3.759
GeCl4 Germanium Tetrachloride 8.735 12.490 -3.756
C10H22 Decane 15.382 19.100 -3.718
SiCl4 Silane, tetrachloro- 7.564 11.269 -3.706
SiCl4 Silane, tetrachloro- 7.564 11.269 -3.706
C10H8 naphthalene 13.758 17.400 -3.642
C10H8 naphthalene 13.759 17.400 -3.641
C10H8 naphthalene 13.759 17.400 -3.641
PCl3 Phosphorus trichloride 7.041 10.634 -3.593
PCl3 Phosphorus trichloride 7.041 10.634 -3.593
PCl3 Phosphorus trichloride 7.042 10.634 -3.592
C9H20 Nonane 13.849 17.370 -3.521
C5H12O 1-Pentanol 8.142 11.581 -3.439
C5H12O 1-Pentanol 8.142 11.581 -3.439
C5H12O 1-Pentanol 8.142 11.581 -3.439
CH2ClCHCl2 1,1,2-trichloroethane 6.950 10.260 -3.311
CHBr3 bromoform 8.558 11.840 -3.282
CHBr3 bromoform 8.558 11.840 -3.282
CHBr3 bromoform 8.558 11.840 -3.282
AsCl3 Arsenous trichloride 8.107 11.370 -3.263
BCl3 Borane, trichloro- 5.438 8.700 -3.262
BCl3 Borane, trichloro- 5.438 8.700 -3.262
BCl3 Borane, trichloro- 5.438 8.700 -3.261
BCl3 Borane, trichloro- 5.438 8.700 -3.261
CCl3CHO trichloroacetaldehyde 7.240 10.500 -3.261
C6H15N triethylamine 10.129 13.380 -3.251
CH2ClCHCl2 1,1,2-trichloroethane 7.058 10.260 -3.203
CH2ClCHCl2 1,1,2-trichloroethane 7.063 10.260 -3.198
CH2ClCHCl2 1,1,2-trichloroethane 7.063 10.260 -3.198
CH2ClCHCl2 1,1,2-trichloroethane 7.063 10.260 -3.197
C6H5OCH3 Anisole 9.903 13.100 -3.196
C6H5OCH3 Anisole 9.903 13.100 -3.196
C6H5CHCH2 Styrene 11.279 14.409 -3.131
C6H5CHCH2 Styrene 11.279 14.409 -3.131
C6H5CHO benzaldehyde 9.699 12.800 -3.101
C6H5CHO benzaldehyde 9.699 12.800 -3.101
C12H10 biphenyl 16.541 19.640 -3.099
C12H10 biphenyl 16.541 19.640 -3.099
CCl4 Carbon tetrachloride 6.933 10.002 -3.069
CCl4 Carbon tetrachloride 6.933 10.002 -3.069
CCl4 Carbon tetrachloride 6.933 10.002 -3.069
CH3CCl3 Ethane, 1,1,1-trichloro- 7.129 10.120 -2.991
CH3CCl3 Ethane, 1,1,1-trichloro- 7.129 10.120 -2.991
CH3CCl3 Ethane, 1,1,1-trichloro- 7.129 10.120 -2.991
CH2CHCHCH2 1,3-Butadiene 5.892 8.881 -2.989
BBr3 Boron tribromide 8.404 11.351 -2.947
C5H11Cl Pentane, 1-chloro- 9.055 12.000 -2.945
C5H11Cl Pentane, 1-chloro- 9.055 12.000 -2.945
C5H11Cl Pentane, 1-chloro- 9.056 12.000 -2.944
Cl2CS Thiophosgene 6.646 9.573 -2.926
C8H18 Octane 12.320 15.239 -2.920
C6H4Cl2 1,3-dichlorobenzene 10.861 13.729 -2.868
CSe2 Carbon diselenide 8.416 11.269 -2.854
C6H5NH2 aniline 8.879 11.581 -2.701
C6H5NH2 aniline 8.880 11.581 -2.701
C6H5NH2 aniline 8.880 11.581 -2.701
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.704 8.401 -2.696
Si2H6 disilane 6.750 9.410 -2.659
Si2H6 disilane 6.750 9.410 -2.659
Si2H6 disilane 6.751 9.410 -2.659
C4H4N2O2 Uracil 7.440 10.090 -2.650
CHClCCl2 Trichloroethylene 7.103 9.751 -2.648
CHClCCl2 Trichloroethylene 7.103 9.751 -2.648
CHClCCl2 Trichloroethylene 7.103 9.751 -2.648
C6H5OH phenol 8.265 10.909 -2.644
C6H5OH phenol 8.266 10.909 -2.644
C6H5OH phenol 8.266 10.909 -2.644
CFCl3 Trichloromonofluoromethane 5.606 8.249 -2.643
CFCl3 Trichloromonofluoromethane 5.607 8.249 -2.643
CFCl3 Trichloromonofluoromethane 5.607 8.249 -2.643
C10H16 adamantane 13.323 15.930 -2.607
C10H16 adamantane 13.323 15.930 -2.607
CHCl3 Chloroform 5.523 8.129 -2.606
CHCl3 Chloroform 5.523 8.129 -2.606
CHCl3 Chloroform 5.523 8.129 -2.606
CHCl3 Chloroform 5.524 8.129 -2.606
CH3CHBrCH3 i-propyl bromide 7.003 9.600 -2.597
C5H12 Propane, 2,2-dimethyl- 7.648 10.240 -2.592
C5H12 Propane, 2,2-dimethyl- 7.648 10.240 -2.592
C6H5Cl chlorobenzene 9.275 11.861 -2.586
C6H5Cl chlorobenzene 9.275 11.861 -2.586
C7H16 heptane 10.793 13.371 -2.578
C7H16 heptane 10.795 13.371 -2.576
C7H16 heptane 10.795 13.371 -2.576
C3H7OC3H7 di-n-propyl ether 9.659 12.219 -2.561
C2H6O2S Dimethyl sulfone 5.842 8.401 -2.559
C2H6O2S Dimethyl sulfone 5.842 8.401 -2.559
C2H6O2S Dimethyl sulfone 5.843 8.401 -2.558
HCCCl Chloroacetylene 3.546 6.070 -2.524
C6H12 hex-1-ene 9.140 11.650 -2.510
C6H12 hex-1-ene 9.140 11.650 -2.510
CH2CHCHCH2 1,3-Butadiene 6.373 8.881 -2.508
CH2CHCHCH2 1,3-Butadiene 6.373 8.881 -2.507
CH2CHCHCH2 1,3-Butadiene 6.373 8.881 -2.507
CH2Br2 dibromomethane 6.179 8.680 -2.501
CH2Br2 dibromomethane 6.179 8.680 -2.501
CH2Br2 dibromomethane 6.179 8.680 -2.501
CS2 Carbon disulfide 6.258 8.749 -2.491
CS2 Carbon disulfide 6.258 8.749 -2.491
CS2 Carbon disulfide 6.258 8.749 -2.491
C6H10 1-Hexyne 8.414 10.900 -2.486
C6H10 1-Hexyne 8.415 10.900 -2.485
C6H10 1-Hexyne 8.415 10.900 -2.485
C3H7OC3H7 di-n-propyl ether 9.735 12.219 -2.484
CH2Cl2 Methylene chloride 4.176 6.659 -2.483
CH2Cl2 Methylene chloride 4.176 6.659 -2.483
CH2Cl2 Methylene chloride 4.177 6.659 -2.483
CH2Cl2 Methylene chloride 4.177 6.659 -2.483
C5H12O Propane, 1-ethoxy- 8.227 10.680 -2.453
C5H12O Propane, 1-ethoxy- 8.227 10.680 -2.452
C5H12O Propane, 1-ethoxy- 8.227 10.680 -2.452
C6H5NO2 Nitrobenzene 9.807 12.259 -2.452
C6H5NO2 Nitrobenzene 9.807 12.259 -2.452
C6H5F Fluorobenzene 7.755 10.200 -2.445
C6H5F Fluorobenzene 7.755 10.200 -2.445
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 5.586 8.030 -2.444
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 5.586 8.030 -2.444
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 5.586 8.030 -2.444
C6H5CH3 toluene 9.435 11.861 -2.426
C6H5CH3 toluene 9.435 11.861 -2.425
C6H5CH3 toluene 9.435 11.861 -2.425
CHClCHCl Ethene, 1,2-dichloro-, (E)- 5.743 8.150 -2.408
CHClCHCl Ethene, 1,2-dichloro-, (E)- 5.743 8.150 -2.408
CHClCHCl Ethene, 1,2-dichloro-, (E)- 5.743 8.150 -2.407
C6H4O2 parabenzoquinone 8.827 11.229 -2.403
C6H10O cyclohexanone 8.660 11.061 -2.401
C6H10O cyclohexanone 8.660 11.061 -2.401
C6H10O cyclohexanone 8.660 11.061 -2.401
C6H12 Cyclohexane 8.604 11.000 -2.396
CH3CHCl2 Ethane, 1,1-dichloro- 5.768 8.161 -2.393
CH3CHCl2 Ethane, 1,1-dichloro- 5.768 8.161 -2.393
CH3CHCl2 Ethane, 1,1-dichloro- 5.768 8.161 -2.393
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 7.495 9.879 -2.384
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 7.495 9.879 -2.384
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 7.495 9.879 -2.384
CHFCl2 fluorodichloromethane 4.236 6.611 -2.375
CHFCl2 fluorodichloromethane 4.236 6.611 -2.375
CHFCl2 fluorodichloromethane 4.236 6.611 -2.374
C2H3Br vinyl bromide 5.233 7.590 -2.357
C2H3Br vinyl bromide 5.233 7.590 -2.357
C2H3Br vinyl bromide 5.234 7.590 -2.356
C6H14 Hexane 9.275 11.630 -2.355
C6H14 Hexane 9.275 11.630 -2.355
CCl2O Phosgene 4.436 6.790 -2.354
C6H14 Hexane 9.275 11.630 -2.354
CCl2O Phosgene 4.437 6.790 -2.353
CCl2O Phosgene 4.437 6.790 -2.352
CCl2O Phosgene 4.437 6.790 -2.352
C5H5N Pyridine 7.143 9.493 -2.350
C5H5N Pyridine 7.143 9.493 -2.350
C5H5N Pyridine 7.143 9.493 -2.350
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.663 8.000 -2.337
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.664 8.000 -2.337
C6H12 Cyclohexane 8.682 11.000 -2.318
C6H12 Cyclohexane 8.682 11.000 -2.318
C6H12 Cyclohexane 8.682 11.000 -2.318
As4 Arsenic tetramer 14.995 17.293 -2.298
BeH2 beryllium dihydride 2.046 4.340 -2.294
BeH2 beryllium dihydride 2.046 4.340 -2.294
C5H10O 3-Pentanone 7.643 9.930 -2.287
C5H10O 3-Pentanone 7.643 9.930 -2.287
N2O4 Dinitrogen tetroxide 4.211 6.495 -2.284
N2O4 Dinitrogen tetroxide 4.211 6.495 -2.284
N2O4 Dinitrogen tetroxide 4.212 6.495 -2.283
C3H8O2 Methane, dimethoxy- 5.439 7.700 -2.261
C3H8O2 Methane, dimethoxy- 5.439 7.700 -2.261
C3H8O2 Methane, dimethoxy- 5.439 7.700 -2.261
C3H8O2 Methane, dimethoxy- 5.439 7.700 -2.261
C5H10O 2-Pentanone 7.677 9.930 -2.252
C5H10O 2-Pentanone 7.681 9.930 -2.249
C5H11N Piperidine 8.077 10.320 -2.243
CH2CCl2 Ethene, 1,1-dichloro- 5.613 7.830 -2.217
CH2CCl2 Ethene, 1,1-dichloro- 5.613 7.830 -2.217
CH2CCl2 Ethene, 1,1-dichloro- 5.613 7.830 -2.217
C6H6 Benzene 7.753 9.959 -2.206
C6H6 Benzene 7.753 9.959 -2.206
C6H6 Benzene 7.753 9.959 -2.206
C5H11N Piperidine 8.121 10.320 -2.199
C5H11N Piperidine 8.121 10.320 -2.199
C5H11N Piperidine 8.121 10.320 -2.199
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.804 8.000 -2.197
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.804 8.000 -2.197
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.804 8.000 -2.196
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.804 8.000 -2.196
C5H10 2-Pentene, (E)- 7.647 9.839 -2.193
C5H10 2-Pentene, (E)- 7.647 9.839 -2.193
C5H10 2-Pentene, (E)- 7.647 9.839 -2.193
C4H5N Pyrrole 5.757 7.940 -2.183
C2H8N2 Ethylenediamine 5.018 7.200 -2.182
C2H8N2 Ethylenediamine 5.018 7.200 -2.182
C2H8N2 Ethylenediamine 5.018 7.200 -2.182
C4H10O Methyl propyl ether 6.678 8.860 -2.182
C4H5N Pyrrole 5.759 7.940 -2.180
C4H5N Pyrrole 5.759 7.940 -2.180
C2H3Cl Ethene, chloro- 4.251 6.410 -2.159
C2H3Cl Ethene, chloro- 4.251 6.410 -2.159
C2H3Cl Ethene, chloro- 4.251 6.410 -2.159
C2H3Cl Ethene, chloro- 4.257 6.410 -2.154
CH3SOCH3 Dimethyl sulfoxide 5.825 7.969 -2.145
C3H7NO dimethylformamide 5.673 7.809 -2.137
C3H7NO dimethylformamide 5.673 7.809 -2.137
CH3CH2CH2CN Butanenitrile 6.274 8.400 -2.126
CH3CH(NH2)CH3 2-Propanamine 5.644 7.769 -2.125
CH3CH(NH2)CH3 2-Propanamine 5.644 7.769 -2.125
CH3CH(NH2)CH3 2-Propanamine 5.645 7.769 -2.125
C6H5CN phenyl cyanide 9.861 11.981 -2.120
C6H5CN phenyl cyanide 9.861 11.981 -2.120
C5H12 Pentane 7.766 9.879 -2.114
C5H12 Pentane 7.766 9.879 -2.113
C5H12 Pentane 7.766 9.879 -2.113
C3H8O2 Methane, dimethoxy- 5.587 7.700 -2.113
C3H8O2 Methane, dimethoxy- 5.587 7.700 -2.113
CH2CHCH2CH2CH3 1-pentene 7.541 9.650 -2.108
CH3CH2Cl Ethyl chloride 4.486 6.590 -2.104
CH3CH2Cl Ethyl chloride 4.486 6.590 -2.104
CH3CH2Cl Ethyl chloride 4.486 6.590 -2.104
CH3CH2Cl Ethyl chloride 4.486 6.590 -2.104
CF2Cl2 difluorodichloromethane 4.267 6.370 -2.103
CF2Cl2 difluorodichloromethane 4.267 6.370 -2.103
CF2Cl2 difluorodichloromethane 4.267 6.370 -2.103
CF2Cl2 difluorodichloromethane 4.267 6.370 -2.103
CH3SCH3 Dimethyl sulfide 5.450 7.550 -2.100
CH3SCH3 Dimethyl sulfide 5.450 7.550 -2.100
CH3SCH3 Dimethyl sulfide 5.450 7.550 -2.100
CH3SCH3 Dimethyl sulfide 5.450 7.550 -2.100
C3H7NO dimethylformamide 5.718 7.809 -2.092
C3H7NO dimethylformamide 5.718 7.809 -2.092
C3H7NO dimethylformamide 5.718 7.809 -2.092
C3H7NO dimethylformamide 5.718 7.809 -2.092
C5H8O Cyclopentanone 7.159 9.250 -2.090
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.434 6.499 -2.065
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.434 6.499 -2.065
CHCCH2CH3 1-Butyne 5.351 7.410 -2.058
NH2CH2CH2CH3 1-Propanamine 5.643 7.700 -2.057
NH2CH2CH2CH3 1-Propanamine 5.643 7.700 -2.057
C3H8O3 1,2,3-Propanetriol 5.814 7.860 -2.046
C3H8O3 1,2,3-Propanetriol 5.814 7.860 -2.046
C3H8O3 1,2,3-Propanetriol 5.814 7.860 -2.046
CH3CH2CH2Br n-propyl bromide 7.026 9.070 -2.044
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.458 6.499 -2.042
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.458 6.499 -2.041
CH2CHCH2CH2CH3 1-pentene 7.616 9.650 -2.034
CH2CHCH2CH2CH3 1-pentene 7.616 9.650 -2.034
C3H4N2 1H-Pyrazole 5.201 7.230 -2.028
C3H4N2 1H-Pyrazole 5.202 7.230 -2.028
C3H4N2 1H-Pyrazole 5.202 7.230 -2.028
C4H8O2 Ethyl acetate 6.594 8.620 -2.026
CH2ClCH2OH 2-Chloroethanol 4.861 6.880 -2.019
C4H4O Furan 5.216 7.230 -2.014
C4H4O Furan 5.216 7.230 -2.014
C4H4O Furan 5.216 7.230 -2.014
CH3CH2SH ethanethiol 5.365 7.380 -2.014
CH3CH2SH ethanethiol 5.365 7.380 -2.014
C4H4O Furan 5.216 7.230 -2.014
CH3CH2SH ethanethiol 5.366 7.380 -2.013
CH3CH2SH ethanethiol 5.366 7.380 -2.013
CHOCHCHCH3 2-Butenal 6.488 8.500 -2.012
CHOCHCHCH3 2-Butenal 6.488 8.500 -2.012
CHOCHCHCH3 2-Butenal 6.488 8.500 -2.012
C4H6O2 2,3-Butanedione 6.194 8.201 -2.007
C4H6O2 2,3-Butanedione 6.194 8.201 -2.007
C4H6O2 2,3-Butanedione 6.194 8.201 -2.007
C4H6O2 2,3-Butanedione 6.194 8.201 -2.007
CH3COCH2CH3 2-Butanone 6.184 8.190 -2.007
CH3COCH2CH3 2-Butanone 6.184 8.190 -2.007
CH3COCH2CH3 2-Butanone 6.184 8.190 -2.007
CH3CH2SH ethanethiol 5.376 7.380 -2.003
CH3CH2SH ethanethiol 5.376 7.380 -2.003
C4H10O Ethoxy ethane 6.728 8.730 -2.002
C4H10O Ethoxy ethane 6.728 8.730 -2.002
C4H10O Ethoxy ethane 6.728 8.730 -2.002
C4H10O Ethoxy ethane 6.728 8.730 -2.001
C5H10 Cyclopentane 7.185 9.170 -1.984
C5H10 Cyclopentane 7.185 9.170 -1.984
C4H10O 2-Butanol, (.+/-.)- 6.591 8.570 -1.979
C4H10O 2-Butanol, (.+/-.)- 6.591 8.570 -1.979
C4H10O 2-Butanol, (.+/-.)- 6.591 8.570 -1.979
C3F8 perfluoropropane 4.557 6.525 -1.968
C3H7ONO Propyl nitrite 6.539 8.500 -1.961
CHOCH2CH2CH3 Butanal 6.230 8.180 -1.949
CHOCH2CH2CH3 Butanal 6.231 8.180 -1.949
CHOCH2CH2CH3 Butanal 6.231 8.180 -1.949
C4H8O2 1,4-Dioxane 6.488 8.430 -1.943
C4H8O2 1,4-Dioxane 6.488 8.430 -1.943
C4H8O2 1,4-Dioxane 6.488 8.430 -1.943
C3H4N2 1H-Imidazole 5.154 7.090 -1.936
CH3CCCH3 2-Butyne 5.547 7.480 -1.933
CH3CCCH3 2-Butyne 5.547 7.480 -1.933
CH3CCCH3 2-Butyne 5.547 7.480 -1.933
C4H10O 1-Butanol 6.642 8.570 -1.928
C3H4N2 1H-Imidazole 5.163 7.090 -1.927
C3H4N2 1H-Imidazole 5.163 7.090 -1.927
C3H4N2 1H-Imidazole 5.164 7.090 -1.926
C3H4N2 1H-Imidazole 5.164 7.090 -1.926
C3H7ONO Propyl nitrite 6.576 8.500 -1.924
C2H5SC2H5 Diethyl sulfide 8.627 10.549 -1.922
C2H5SC2H5 Diethyl sulfide 8.627 10.549 -1.922
C2H5SC2H5 Diethyl sulfide 8.627 10.549 -1.922
CH3CH2COOH Propanoic Acid 5.040 6.960 -1.921
C2H4S Thiirane 4.995 6.910 -1.915
C2H4S Thiirane 4.995 6.910 -1.915
C2H4S Thiirane 4.995 6.910 -1.915
C5H9N Propanenitrile, 2,2-dimethyl- 7.684 9.591 -1.907
C5H9N Propanenitrile, 2,2-dimethyl- 7.684 9.591 -1.907
BrCN Cyanogen bromide 3.917 5.824 -1.907
BrCN Cyanogen bromide 3.917 5.824 -1.907
C5H9N Propanenitrile, 2,2-dimethyl- 7.684 9.591 -1.907
C4H4O2 2-Oxetanone, 4-methylene- 6.094 8.000 -1.907
C4H4O2 2-Oxetanone, 4-methylene- 6.094 8.000 -1.907
C4H4O2 2-Oxetanone, 4-methylene- 6.094 8.000 -1.906
C4H4S Thiophene 7.111 9.010 -1.898
C4H4S Thiophene 7.111 9.010 -1.898
C4H4S Thiophene 7.112 9.010 -1.898
C4H2 Diacetylene 4.919 6.811 -1.892
C4H2 Diacetylene 4.919 6.811 -1.892
Cl2 Chlorine diatomic 2.741 4.610 -1.869
Cl2 Chlorine diatomic 2.741 4.610 -1.869
Cl2 Chlorine diatomic 2.741 4.610 -1.869
SeF6 Selenium hexafluoride 3.457 5.320 -1.863
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.235 8.049 -1.815
C2H5Br Ethyl bromide 5.470 7.280 -1.810
C2H5Br Ethyl bromide 5.470 7.280 -1.810
CH2CHCHO Acrolein 4.570 6.379 -1.809
C2H5Br Ethyl bromide 5.471 7.280 -1.809
C2H5Br Ethyl bromide 5.471 7.280 -1.809
CH2C(CH3)CH3 1-Propene, 2-methyl- 6.078 7.880 -1.802
CH2C(CH3)CH3 1-Propene, 2-methyl- 6.079 7.880 -1.802
CH2C(CH3)CH3 1-Propene, 2-methyl- 6.079 7.880 -1.802
CH3CH2CH2CH3 Butane 6.232 8.020 -1.788
CH3CH2CH2CH3 Butane 6.232 8.020 -1.788
CH3CH(CH3)CH3 Isobutane 6.231 8.009 -1.779
CH3CH(CH3)CH3 Isobutane 6.231 8.009 -1.779
CH3CH(CH3)CH3 Isobutane 6.231 8.009 -1.779
CH3CCH propyne 3.794 5.550 -1.756
CH3CCH propyne 3.794 5.550 -1.756
CH3CCH propyne 3.794 5.550 -1.756
CH3COOCH3 methyl acetate 5.059 6.811 -1.752
CH3CH2CH2CH3 Butane 6.269 8.020 -1.751
CF3Br Bromotrifluoromethane 3.900 5.650 -1.750
CF3Br Bromotrifluoromethane 3.900 5.650 -1.750
CH3CH2CH2CH3 Butane 6.270 8.020 -1.750
CH3CH2CH2CH3 Butane 6.270 8.020 -1.750
HCOOC2H5 Ethyl formate 5.131 6.880 -1.749
CH3COOCH3 methyl acetate 5.062 6.811 -1.749
CH3COOCH3 methyl acetate 5.062 6.811 -1.749
C3H6O3 1,3,5-Trioxane 5.273 7.020 -1.747
C3H6O3 1,3,5-Trioxane 5.273 7.020 -1.747
C3H6O3 1,3,5-Trioxane 5.273 7.020 -1.746
CH2CHCH2CH3 1-Butene 6.086 7.830 -1.744
CH2CHCH2CH3 1-Butene 6.086 7.830 -1.744
CH2CHCH2CH3 1-Butene 6.086 7.830 -1.744
C4H5N (E)-2-Butenenitrile 6.474 8.201 -1.726
C4H5N (E)-2-Butenenitrile 6.474 8.201 -1.726
C4H5N (E)-2-Butenenitrile 6.474 8.201 -1.726
H2Se Hydrogen selenide 3.046 4.770 -1.724
PF3 Phosphorus trifluoride 2.690 4.414 -1.724
H2Se Hydrogen selenide 3.046 4.770 -1.724
H2Se Hydrogen selenide 3.046 4.770 -1.724
PF3 Phosphorus trifluoride 2.693 4.414 -1.722
PF3 Phosphorus trifluoride 2.693 4.414 -1.722
PF3 Phosphorus trifluoride 2.693 4.414 -1.722
CH3Br methyl bromide 3.895 5.610 -1.715
CH3Br methyl bromide 3.895 5.610 -1.715
SiH4 Silane 3.072 4.777 -1.706
SiH4 Silane 3.072 4.777 -1.706
SiH4 Silane 3.072 4.777 -1.706
SiH4 Silane 3.072 4.777 -1.706
CH3CH2NH2 Ethylamine 4.169 5.870 -1.700
CH3CH2NH2 Ethylamine 4.169 5.870 -1.700
CH3CH2NH2 Ethylamine 4.169 5.870 -1.700
P4 Phosphorus tetramer 11.890 13.589 -1.699
P4 Phosphorus tetramer 11.890 13.589 -1.699
CH3CHCHCH3 2-Butene, (E)- 6.203 7.880 -1.678
CH3CHCHCH3 2-Butene, (E)- 6.203 7.880 -1.677
CH3CHCHCH3 2-Butene, (E)- 6.203 7.880 -1.677
CF3Cl Methane, chlorotrifluoro- 2.974 4.650 -1.676
CF3Cl Methane, chlorotrifluoro- 2.974 4.650 -1.676
CF3Cl Methane, chlorotrifluoro- 2.974 4.650 -1.676
CF3Cl Methane, chlorotrifluoro- 2.974 4.650 -1.676
C2H6O2 1,2-Ethanediol 4.034 5.710 -1.676
C2H6O2 1,2-Ethanediol 4.035 5.710 -1.675
C2H6O2 1,2-Ethanediol 4.035 5.710 -1.675
Br2 Bromine diatomic 4.773 6.431 -1.658
Br2 Bromine diatomic 4.773 6.431 -1.658
Li Lithium atom 22.694 24.330 -1.636
Li Lithium atom 22.694 24.330 -1.636
CH2CHCHO Acrolein 4.746 6.379 -1.634
CH2CHCHO Acrolein 4.746 6.379 -1.633
CH2CHCHO Acrolein 4.746 6.379 -1.633
CH2CHCHO Acrolein 4.746 6.379 -1.633
CH3CONH2 Acetamide 4.054 5.670 -1.616
CH3CONH2 Acetamide 4.054 5.670 -1.616
CH3CONH2 Acetamide 4.054 5.670 -1.615
P Phosphorus atom 2.021 3.630 -1.609
CH3CH2CHO Propanal 4.747 6.350 -1.603
CH3CH2CHO Propanal 4.747 6.350 -1.603
CH3CH2CHO Propanal 4.747 6.350 -1.603
CH3CH2CHO Propanal 4.747 6.350 -1.602
CH3COOH Acetic acid 3.589 5.149 -1.561
CH2FCl fluorochloromethane 2.952 4.509 -1.557
CH2FCl fluorochloromethane 2.952 4.509 -1.557
CH2FCl fluorochloromethane 2.952 4.509 -1.557
C6F6 hexafluorobenzene 8.024 9.580 -1.556
AsH3 Arsine 3.912 5.468 -1.556
AsH3 Arsine 3.912 5.468 -1.556
CH3COOH Acetic acid 3.597 5.149 -1.552
CH3COOH Acetic acid 3.597 5.149 -1.552
CH3COOH Acetic acid 3.597 5.149 -1.552
OCS Carbonyl sulfide 3.554 5.090 -1.536
OCS Carbonyl sulfide 3.554 5.090 -1.536
OCS Carbonyl sulfide 3.554 5.090 -1.536
CH3COCH3 Acetone 4.738 6.270 -1.531
CH3COCH3 Acetone 4.738 6.270 -1.531
CH3COCH3 Acetone 4.739 6.270 -1.531
CH3COCH3 Acetone 4.739 6.270 -1.531
CH3CHOHCH3 Isopropyl alcohol 5.143 6.670 -1.527
CH3CHOHCH3 Isopropyl alcohol 5.143 6.670 -1.527
CH3CHOHCH3 Isopropyl alcohol 5.143 6.670 -1.527
C3H5Cl 1-Propene, 3-chloro- 5.877 7.400 -1.523
C3H5Cl 1-Propene, 3-chloro- 5.877 7.400 -1.523
C3H5Cl 1-Propene, 3-chloro- 5.877 7.400 -1.523
C3H7OH 1-Propanol 5.148 6.670 -1.522
C3H7OH 1-Propanol 5.153 6.670 -1.517
C3H7OH 1-Propanol 5.153 6.670 -1.517
C3H7OH 1-Propanol 5.153 6.670 -1.517
C2F6 hexafluoroethane 3.165 4.668 -1.503
C2F6 hexafluoroethane 3.165 4.668 -1.503
C2F6 hexafluoroethane 3.165 4.668 -1.503
H2S Hydrogen sulfide 2.132 3.631 -1.499
H2S Hydrogen sulfide 2.132 3.631 -1.498
H2S Hydrogen sulfide 2.132 3.631 -1.498
H2S Hydrogen sulfide 2.132 3.631 -1.498
CH3OCH3 Dimethyl ether 3.662 5.160 -1.498
CH3OCH3 Dimethyl ether 3.662 5.160 -1.498
CH3OCH3 Dimethyl ether 3.662 5.160 -1.498
CH3OCH3 Dimethyl ether 3.662 5.160 -1.497
CH3Cl Methyl chloride 2.919 4.416 -1.497
CH3Cl Methyl chloride 2.919 4.416 -1.496
CH3Cl Methyl chloride 2.919 4.416 -1.496
CH3Cl Methyl chloride 2.920 4.416 -1.496
C2H5CN ethyl cyanide 4.755 6.240 -1.485
CH2CO Ketene 2.928 4.400 -1.472
CH2CO Ketene 2.928 4.400 -1.472
CH2CO Ketene 2.928 4.400 -1.472
CH2CO Ketene 2.928 4.400 -1.471
CF3CHF2 pentafluoroethane 3.153 4.623 -1.470
CHF2Cl difluorochloromethane 2.971 4.440 -1.469
CHF2Cl difluorochloromethane 2.971 4.440 -1.469
CHF2Cl difluorochloromethane 2.971 4.440 -1.469
GeF4 Germanium tetrafluoride 2.594 4.050 -1.456
GeF4 Germanium tetrafluoride 2.594 4.050 -1.456
CH3OCHO methyl formate 3.598 5.050 -1.452
CH3OCHO methyl formate 3.599 5.050 -1.451
CH3OCHO methyl formate 3.599 5.050 -1.451
CH3CH2OH Ethanol 3.663 5.112 -1.450
CH3OCHO methyl formate 3.601 5.050 -1.449
CH2CHCH3 Propene 4.541 5.990 -1.448
CH2CHCH3 Propene 4.542 5.990 -1.448
CH2CHCH3 Propene 4.542 5.990 -1.448
CH2CHCH3 Propene 4.542 5.990 -1.448
SF6 Sulfur Hexafluoride 3.053 4.490 -1.437
SF6 Sulfur Hexafluoride 3.053 4.490 -1.437
CHONH2 formamide 2.644 4.080 -1.436
CHONH2 formamide 2.644 4.080 -1.436
CHONH2 formamide 2.644 4.080 -1.436
CHONH2 formamide 2.644 4.080 -1.436
CHONH2 formamide 2.644 4.080 -1.436
CHONH2 formamide 2.644 4.080 -1.436
CHONH2 formamide 2.645 4.080 -1.434
CH3CH2OH Ethanol 3.685 5.112 -1.428
CH3CH2OH Ethanol 3.685 5.112 -1.428
HBr hydrogen bromide 2.188 3.616 -1.427
HBr hydrogen bromide 2.188 3.616 -1.427
CH3CH2OH Ethanol 3.685 5.112 -1.427
CH3CH2OH Ethanol 3.685 5.112 -1.427
N(CH3)3 Trimethylamine 5.653 7.076 -1.422
N(CH3)3 Trimethylamine 5.653 7.076 -1.422
N(CH3)3 Trimethylamine 5.653 7.076 -1.422
SO3 Sulfur trioxide 2.885 4.297 -1.412
SO3 Sulfur trioxide 2.885 4.297 -1.412
SO3 Sulfur trioxide 2.885 4.297 -1.412
SO3 Sulfur trioxide 2.885 4.297 -1.412
C2N2 Cyanogen 3.623 5.015 -1.392
C2N2 Cyanogen 3.623 5.015 -1.392
CF3CH2F 1,1,1,2-tetrafluoroethane 3.161 4.549 -1.389
CH3SH Methanethiol 3.814 5.186 -1.372
CH3SH Methanethiol 3.814 5.186 -1.372
CH3SH Methanethiol 3.815 5.186 -1.372
CH3SH Methanethiol 3.815 5.186 -1.372
CH3SH Methanethiol 3.815 5.186 -1.372
Cl Chlorine atom 0.812 2.180 -1.368
Cl Chlorine atom 0.812 2.180 -1.368
Cl Chlorine atom 0.812 2.180 -1.368
N2H4 Hydrazine 2.092 3.460 -1.368
N2H4 Hydrazine 2.093 3.460 -1.368
N2H4 Hydrazine 2.093 3.460 -1.367
N2H4 Hydrazine 2.093 3.460 -1.367
C2H2 Acetylene 2.121 3.487 -1.366
C2H2 Acetylene 2.121 3.487 -1.366
C2H2 Acetylene 2.121 3.487 -1.366
C3H6 Cyclopropane 4.277 5.640 -1.363
C3H6 Cyclopropane 4.277 5.640 -1.363
C3H6 Cyclopropane 4.277 5.640 -1.363
C3H6 Cyclopropane 4.277 5.640 -1.363
C3F6 hexafluoropropene 4.506 5.838 -1.333
CH3NO2 Methane, nitro- 3.506 4.800 -1.294
CH3NO2 Methane, nitro- 3.506 4.800 -1.294
CH3NO2 Methane, nitro- 3.506 4.800 -1.294
CH3NO2 Methane, nitro- 3.506 4.800 -1.294
B3N3H6 borazine 6.714 8.000 -1.286
B3N3H6 borazine 6.714 8.000 -1.286
HCl Hydrogen chloride 1.237 2.515 -1.278
HCl Hydrogen chloride 1.237 2.515 -1.278
HCl Hydrogen chloride 1.237 2.515 -1.278
CH3NHCH3 Dimethylamine 4.180 5.447 -1.267
CH3NHCH3 Dimethylamine 4.180 5.447 -1.267
CH3NHCH3 Dimethylamine 4.180 5.447 -1.267
PH3 Phosphine 2.970 4.237 -1.267
PH3 Phosphine 2.970 4.237 -1.267
PH3 Phosphine 2.970 4.237 -1.267
PH3 Phosphine 2.970 4.237 -1.267
C2H4 Ethylene 2.943 4.188 -1.244
C2H4 Ethylene 2.943 4.188 -1.244
C2H4 Ethylene 2.944 4.188 -1.244
F2SO Thionyl Fluoride 2.686 3.927 -1.241
SO2 Sulfur dioxide 2.652 3.882 -1.230
SO2 Sulfur dioxide 2.652 3.882 -1.230
SO2 Sulfur dioxide 2.652 3.882 -1.230
SO2 Sulfur dioxide 2.652 3.882 -1.230
CH3CF3 Ethane, 1,1,1-trifluoro- 3.171 4.400 -1.229
CH3CF3 Ethane, 1,1,1-trifluoro- 3.171 4.400 -1.229
CH3CF3 Ethane, 1,1,1-trifluoro- 3.171 4.400 -1.229
SiF4 Silicon tetrafluoride 2.101 3.319 -1.219
SiF4 Silicon tetrafluoride 2.101 3.319 -1.219
C2H4O Ethylene oxide 3.214 4.431 -1.216
C2H4O Ethylene oxide 3.215 4.431 -1.216
C2H4O Ethylene oxide 3.215 4.431 -1.216
C2H4O Ethylene oxide 3.215 4.431 -1.216
CH2CCH2 allene 4.503 5.690 -1.187
CH2CCH2 allene 4.503 5.690 -1.187
CH2CCH2 allene 4.503 5.690 -1.187
CH2CCH2 allene 4.503 5.690 -1.187
HCOOH Formic acid 2.166 3.319 -1.153
HCOOH Formic acid 2.166 3.319 -1.153
HCOOH Formic acid 2.166 3.319 -1.153
HCOOH Formic acid 2.166 3.319 -1.153
C3H8 Propane 4.785 5.921 -1.137
C3H8 Propane 4.785 5.921 -1.137
C3H8 Propane 4.785 5.921 -1.137
C3H8 Propane 4.785 5.921 -1.137
C3H8 Propane 4.785 5.921 -1.137
PF5 Phosphorus pentafluoride 2.516 3.650 -1.134
PF5 Phosphorus pentafluoride 2.516 3.650 -1.134
PF5 Phosphorus pentafluoride 2.516 3.650 -1.134
PF5 Phosphorus pentafluoride 2.516 3.650 -1.134
HCOOH Formic acid 2.202 3.319 -1.117
B2H6 Diborane 4.005 5.115 -1.111
B2H6 Diborane 4.005 5.115 -1.110
B2H6 Diborane 4.005 5.115 -1.110
B2H6 Diborane 4.005 5.115 -1.110
CH3NH2 methyl amine 2.669 3.754 -1.085
CH3NH2 methyl amine 2.669 3.754 -1.084
CH3NH2 methyl amine 2.669 3.754 -1.084
CH3NH2 methyl amine 2.669 3.754 -1.084
CH3CH2OH Ethanol 4.030 5.112 -1.082
C5H12 Butane, 2-methyl- 7.687 8.770 -1.082
C5H12 Butane, 2-methyl- 7.687 8.770 -1.082
C5H12 Butane, 2-methyl- 7.687 8.770 -1.082
Ar Argon atom 0.595 1.664 -1.069
Ar Argon atom 0.595 1.664 -1.069
C5H8 Spiropentane 6.988 8.049 -1.061
C5H8 Spiropentane 6.988 8.049 -1.061
C5H8 Spiropentane 6.988 8.049 -1.061
CH3CN Acetonitrile 3.246 4.280 -1.034
CH3CN Acetonitrile 3.246 4.280 -1.034
CH3CN Acetonitrile 3.246 4.280 -1.034
CH3CN Acetonitrile 3.246 4.280 -1.034
CH3OH Methyl alcohol 2.181 3.210 -1.029
CH3OH Methyl alcohol 2.181 3.210 -1.029
CH3OH Methyl alcohol 2.181 3.210 -1.028
CH3OH Methyl alcohol 2.181 3.210 -1.028
CH3OH Methyl alcohol 2.181 3.210 -1.028
NF3 Nitrogen trifluoride 1.782 2.810 -1.028
NF3 Nitrogen trifluoride 1.782 2.810 -1.028
NF3 Nitrogen trifluoride 1.782 2.810 -1.027
NF3 Nitrogen trifluoride 1.782 2.810 -1.027
CF4 Carbon tetrafluoride 1.797 2.824 -1.027
CF4 Carbon tetrafluoride 1.797 2.824 -1.027
C3H2N2 Malononitrile 4.763 5.790 -1.026
C3H2N2 Malononitrile 4.763 5.790 -1.026
C3H2N2 Malononitrile 4.764 5.790 -1.026
CH3OH Methyl alcohol 2.190 3.210 -1.020
CHF3 Methane, trifluoro- 1.781 2.801 -1.020
CHF3 Methane, trifluoro- 1.781 2.801 -1.020
CHF3 Methane, trifluoro- 1.781 2.801 -1.020
CHF3 Methane, trifluoro- 1.781 2.801 -1.020
B Boron atom 2.022 3.030 -1.008
CH3CHOHCH3 Isopropyl alcohol 5.663 6.670 -1.007
O3 Ozone 2.095 3.079 -0.984
O3 Ozone 2.095 3.079 -0.984
O3 Ozone 2.095 3.079 -0.984
O3 Ozone 2.095 3.079 -0.984
CH2F2 Methane, difluoro- 1.777 2.761 -0.983
CH2F2 Methane, difluoro- 1.777 2.761 -0.983
CH2F2 Methane, difluoro- 1.777 2.761 -0.983
CH2F2 Methane, difluoro- 1.777 2.761 -0.983
N2O Nitrous oxide 2.016 2.998 -0.981
N2O Nitrous oxide 2.016 2.998 -0.981
N2O Nitrous oxide 2.016 2.998 -0.981
C2H6 Ethane 3.250 4.226 -0.976
NO2 Nitrogen dioxide 1.940 2.910 -0.970
NO2 Nitrogen dioxide 1.940 2.910 -0.970
NO2 Nitrogen dioxide 1.940 2.910 -0.970
NO2 Nitrogen dioxide 1.940 2.910 -0.970
NO2 Nitrogen dioxide 1.940 2.910 -0.970
BF3 Borane, trifluoro- 1.452 2.420 -0.968
BF3 Borane, trifluoro- 1.452 2.420 -0.968
CH3CHO Acetaldehyde 3.314 4.278 -0.964
CH3CHO Acetaldehyde 3.314 4.278 -0.964
CH3CHO Acetaldehyde 3.314 4.278 -0.964
CH3CHO Acetaldehyde 3.314 4.278 -0.964
NH3 Ammonia 1.146 2.103 -0.957
NH3 Ammonia 1.146 2.103 -0.957
NH3 Ammonia 1.146 2.103 -0.957
NH3 Ammonia 1.146 2.103 -0.957
H2CO Formaldehyde 1.829 2.770 -0.940
H2CO Formaldehyde 1.829 2.770 -0.940
H2CO Formaldehyde 1.829 2.770 -0.940
H2CO Formaldehyde 1.829 2.770 -0.940
H2CO Formaldehyde 1.830 2.770 -0.940
H2CO Formaldehyde 1.830 2.770 -0.940
C2H6 Ethane 3.308 4.226 -0.918
C2H6 Ethane 3.308 4.226 -0.918
C2H6 Ethane 3.308 4.226 -0.918
C2H6 Ethane 3.309 4.226 -0.918
C2H6 Ethane 3.309 4.226 -0.918
C2H5F fluoroethane 3.266 4.164 -0.898
C2H5F fluoroethane 3.266 4.164 -0.898
C2H5F fluoroethane 3.266 4.164 -0.898
C2H5F fluoroethane 3.266 4.164 -0.898
HCN Hydrogen cyanide 1.702 2.593 -0.892
HCN Hydrogen cyanide 1.702 2.593 -0.891
CO2 Carbon dioxide 1.708 2.507 -0.800
CO2 Carbon dioxide 1.708 2.507 -0.799
CO2 Carbon dioxide 1.708 2.507 -0.799
H2O Water 0.704 1.501 -0.797
H2O Water 0.705 1.501 -0.797
H2O Water 0.705 1.501 -0.796
H2O Water 0.705 1.501 -0.796
GeH4 Germane 3.978 4.770 -0.792
GeH4 Germane 3.978 4.770 -0.792
B Boron atom 2.250 3.030 -0.780
B Boron atom 2.250 3.030 -0.780
CH3F Methyl fluoride 1.791 2.540 -0.749
CH3F Methyl fluoride 1.791 2.540 -0.749
CH3F Methyl fluoride 1.791 2.540 -0.749
CH3F Methyl fluoride 1.791 2.540 -0.749
CH3F Methyl fluoride 1.791 2.540 -0.749
C Carbon atom 1.024 1.760 -0.736
C Carbon atom 1.025 1.760 -0.735
FCN Cyanogen fluoride 1.840 2.550 -0.710
FCN Cyanogen fluoride 1.840 2.550 -0.710
FCN Cyanogen fluoride 1.840 2.550 -0.710
CH4 Methane 1.800 2.448 -0.648
CH4 Methane 1.800 2.448 -0.648
CH4 Methane 1.800 2.448 -0.648
C Carbon atom 1.120 1.760 -0.640
CO Carbon monoxide 1.315 1.953 -0.638
N Nitrogen atom 0.462 1.100 -0.638
CO Carbon monoxide 1.358 1.953 -0.595
CO Carbon monoxide 1.358 1.953 -0.595
NO Nitric oxide 1.111 1.698 -0.587
NO Nitric oxide 1.111 1.698 -0.587
O2 Oxygen diatomic 0.982 1.562 -0.579
O2 Oxygen diatomic 0.982 1.562 -0.579
N2 Nitrogen diatomic 1.141 1.710 -0.569
O Oxygen atom 0.269 0.802 -0.533
O Oxygen atom 0.269 0.802 -0.533
N Nitrogen atom 0.574 1.100 -0.526
N Nitrogen atom 0.575 1.100 -0.525
N2 Nitrogen diatomic 1.239 1.710 -0.471
N2 Nitrogen diatomic 1.239 1.710 -0.471
N2 Nitrogen diatomic 1.239 1.710 -0.471
O2 Oxygen diatomic 1.112 1.562 -0.450
O2 Oxygen diatomic 1.112 1.562 -0.450
O2 Oxygen diatomic 1.112 1.562 -0.450
O Oxygen atom 0.355 0.802 -0.447
F Fluorine atom 0.135 0.557 -0.422
F Fluorine atom 0.135 0.557 -0.422
HF Hydrogen fluoride 0.389 0.800 -0.411
HF Hydrogen fluoride 0.394 0.800 -0.406
HF Hydrogen fluoride 0.394 0.800 -0.406
CO Carbon monoxide 1.553 1.953 -0.400
F2 Fluorine diatomic 0.809 1.160 -0.351
F2 Fluorine diatomic 0.809 1.160 -0.351
F Fluorine atom 0.245 0.557 -0.312
Ne Neon atom 0.180 0.381 -0.201
C10H8 Azulene 15.495 15.520 -0.025
Be Beryllium atom 5.594 5.600 -0.006
Be Beryllium atom 5.595 5.600 -0.005
Na Sodium atom 27.615 24.110 3.505
Na Sodium atom 28.301 24.110 4.191
MgO magnesium oxide 10.287 1.750 8.537
MgO magnesium oxide 10.287 1.750 8.537
CaO Calcium monoxide 23.394 2.841 20.553