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Comparison of polarizabilities for TPSSh/6-31G**

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 3.750    
CSe2 Carbon diselenide 8.338 11.269 -2.932
(CH3)3CC(CH3)3 tetramethylbutane 12.830 15.610 -2.780
AsCl3 Arsenous trichloride 8.623 11.370 -2.747
C9H20 Nonane 15.020 17.370 -2.350
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.220 8.401 -2.180
C6H4Cl2 1,3-dichlorobenzene 11.705 13.729 -2.024
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.981 8.000 -2.019
Cl2 Chlorine diatomic 2.692 4.610 -1.918
C6H12 hex-1-ene 9.788 11.650 -1.862
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.768 6.499 -1.732
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.792 6.499 -1.708
CH3CH2SH ethanethiol 5.681 7.380 -1.698
CH2ClCH2OH 2-Chloroethanol 5.240 6.880 -1.640
C5H8O Cyclopentanone 7.716 9.250 -1.533
H2S Hydrogen sulfide 2.200 3.631 -1.431
C4H2 Diacetylene 5.383 6.811 -1.427
SiH4 Silane 3.365 4.777 -1.413
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.717 8.049 -1.333
C4H8O2 Ethyl acetate 7.332 8.620 -1.288
SeF6 Selenium hexafluoride 4.204 5.320 -1.116
C2N2 Cyanogen 3.933 5.015 -1.081
NO2 Nitrogen dioxide 2.003 2.910 -0.908
N2O Nitrous oxide 2.151 2.998 -0.847
CH3NH2 methyl amine 2.916 3.754 -0.837
HCN Hydrogen cyanide 1.776 2.593 -0.817
NH3 Ammonia 1.287 2.103 -0.816
CH3OH Methyl alcohol 2.402 3.210 -0.808
H2O Water 0.802 1.501 -0.699
CH3F Methyl fluoride 1.957 2.540 -0.583
NO Nitric oxide 1.140 1.698 -0.558
CH4 Methane 1.899 2.448 -0.549
CO Carbon monoxide 1.427 1.953 -0.526
O2 Oxygen diatomic 1.045 1.562 -0.517
N2 Nitrogen diatomic 1.280 1.710 -0.430
H2 Hydrogen diatomic 0.384 0.787 -0.404
F2 Fluorine diatomic 0.787 1.160 -0.373
HF Hydrogen fluoride 0.433 0.800 -0.367
Ne Neon atom 0.184 0.381 -0.197
H2+ Hydrogen cation 0.319 0.469 -0.151
C10H8 Azulene 16.273 15.520 0.753