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Comparison of polarizabilities for TPSSh/aug-cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 5.484    
CSe2 Carbon diselenide 10.599 11.269 -0.670
Cl2 Chlorine diatomic 4.372 4.610 -0.238
AsCl3 Arsenous trichloride 11.162 11.370 -0.209
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.309 6.499 -0.191
NO2 Nitrogen dioxide 2.724 2.910 -0.186
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.326 6.499 -0.173
N2O Nitrous oxide 2.860 2.998 -0.138
H2S Hydrogen sulfide 3.547 3.631 -0.084
H2O Water 1.422 1.501 -0.079
Ne Neon atom 0.309 0.381 -0.072
HCN Hydrogen cyanide 2.524 2.593 -0.069
O2 Oxygen diatomic 1.495 1.562 -0.066
C5H8O Cyclopentanone 9.196 9.250 -0.054
SiH4 Silane 4.726 4.777 -0.052
NO Nitric oxide 1.663 1.698 -0.036
H2+ Hydrogen cation 0.436 0.469 -0.033
HF Hydrogen fluoride 0.775 0.800 -0.025
CO Carbon monoxide 1.933 1.953 -0.020
F2 Fluorine diatomic 1.143 1.160 -0.018
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.390 8.401 -0.011
C2N2 Cyanogen 5.013 5.015 -0.002
H2 Hydrogen diatomic 0.794 0.787 0.006
CH3OH Methyl alcohol 3.216 3.210 0.007
CH3F Methyl fluoride 2.556 2.540 0.016
NH3 Ammonia 2.132 2.103 0.029
CH3CH2SH ethanethiol 7.423 7.380 0.044
N2 Nitrogen diatomic 1.755 1.710 0.045
CH4 Methane 2.526 2.448 0.078
CH2ClCH2OH 2-Chloroethanol 6.983 6.880 0.103
CH3CH(CH3)CN Propanenitrile, 2-methyl- 8.156 8.049 0.106
CH2ClCH2Cl Ethane, 1,2-dichloro- 8.135 8.000 0.135
CH3NH2 methyl amine 3.918 3.754 0.165
SeF6 Selenium hexafluoride 5.535 5.320 0.215
C6H12 hex-1-ene 11.881 11.650 0.231
C4H8O2 Ethyl acetate 8.938 8.620 0.318
C4H2 Diacetylene 7.480 6.811 0.670
C6H4Cl2 1,3-dichlorobenzene 14.856 13.729 1.126
C10H8 Azulene 19.677 15.520 4.157