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Comparison of polarizabilities for B2PLYP/aug-cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 5.422    
CSe2 Carbon diselenide 10.841 11.269 -0.428
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.222 6.499 -0.278
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.237 6.499 -0.263
Cl2 Chlorine diatomic 4.367 4.610 -0.243
AsCl3 Arsenous trichloride 11.157 11.370 -0.213
NO2 Nitrogen dioxide 2.730 2.910 -0.180
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.248 8.401 -0.153
C5H8O Cyclopentanone 9.103 9.250 -0.147
H2S Hydrogen sulfide 3.516 3.631 -0.115
HCl Hydrogen chloride 2.402 2.515 -0.112
H2O Water 1.390 1.501 -0.111
N2O Nitrous oxide 2.901 2.998 -0.097
O2 Oxygen diatomic 1.474 1.562 -0.088
CH3CH2COOH Propanoic Acid 6.887 6.960 -0.073
C2N2 Cyanogen 4.944 5.015 -0.070
NO Nitric oxide 1.647 1.698 -0.051
SiH4 Silane 4.728 4.777 -0.050
HF Hydrogen fluoride 0.752 0.800 -0.048
C2H4 Ethylene 4.143 4.188 -0.045
CH3OH Methyl alcohol 3.172 3.210 -0.037
H2+ Hydrogen cation 0.435 0.469 -0.034
F2 Fluorine diatomic 1.135 1.160 -0.025
CH3CH2SH ethanethiol 7.359 7.380 -0.021
CH3F Methyl fluoride 2.521 2.540 -0.018
CO Carbon monoxide 1.935 1.953 -0.018
NH3 Ammonia 2.095 2.103 -0.008
CH3CH(CH3)CN Propanenitrile, 2-methyl- 8.056 8.049 0.006
H2 Hydrogen diatomic 0.794 0.787 0.007
CH2ClCH2OH 2-Chloroethanol 6.892 6.880 0.012
N2 Nitrogen diatomic 1.747 1.710 0.037
CO2 Carbon dioxide 2.549 2.507 0.042
CH2ClCH2Cl Ethane, 1,2-dichloro- 8.051 8.000 0.050
CH4 Methane 2.512 2.448 0.064
SeF6 Selenium hexafluoride 5.399 5.320 0.079
CHONH2 formamide 4.167 4.080 0.088
CHONH2 formamide 4.167 4.080 0.088
C6H12 hex-1-ene 11.742 11.650 0.091
C4H10O 1-Butanol 8.676 8.570 0.107
CH3NH2 methyl amine 3.868 3.754 0.114
C4H8O2 Ethyl acetate 8.829 8.620 0.209
C4H2 Diacetylene 7.343 6.811 0.532
C6H4Cl2 1,3-dichlorobenzene 14.764 13.729 1.035
C10H8 Azulene 19.861 15.520 4.341