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Comparison of polarizabilities for TPSSh/6-311G*

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 3.955    
CSe2 Carbon diselenide 8.758 11.269 -2.511
AsCl3 Arsenous trichloride 8.895 11.370 -2.475
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.362 8.401 -2.038
Cl2 Chlorine diatomic 2.610 4.610 -2.000
(CH3)3CC(CH3)3 tetramethylbutane 13.618 15.610 -1.992
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.216 8.000 -1.785
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.891 6.499 -1.609
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.914 6.499 -1.586
C9H20 Nonane 15.797 17.370 -1.573
CH2ClCH2OH 2-Chloroethanol 5.423 6.880 -1.457
C6H4Cl2 1,3-dichlorobenzene 12.284 13.729 -1.445
H2S Hydrogen sulfide 2.217 3.631 -1.414
CH3CH2SH ethanethiol 6.018 7.380 -1.362
C6H12 hex-1-ene 10.352 11.650 -1.298
C5H8O Cyclopentanone 8.094 9.250 -1.156
SiH4 Silane 3.705 4.777 -1.073
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.036 8.049 -1.014
C4H2 Diacetylene 5.814 6.811 -0.997
C4H8O2 Ethyl acetate 7.632 8.620 -0.988
SeF6 Selenium hexafluoride 4.371 5.320 -0.949
C2N2 Cyanogen 4.069 5.015 -0.945
NO2 Nitrogen dioxide 1.973 2.910 -0.937
N2O Nitrous oxide 2.150 2.998 -0.848
CH3OH Methyl alcohol 2.441 3.210 -0.768
NH3 Ammonia 1.352 2.103 -0.751
CH3NH2 methyl amine 3.022 3.754 -0.732
HCN Hydrogen cyanide 1.890 2.593 -0.704
H2O Water 0.810 1.501 -0.691
CH3F Methyl fluoride 1.931 2.540 -0.609
O2 Oxygen diatomic 0.982 1.562 -0.580
NO Nitric oxide 1.120 1.698 -0.578
F2 Fluorine diatomic 0.663 1.160 -0.497
CH4 Methane 1.967 2.448 -0.481
CO Carbon monoxide 1.519 1.953 -0.434
HF Hydrogen fluoride 0.373 0.800 -0.428
N2 Nitrogen diatomic 1.291 1.710 -0.419
Ne Neon atom 0.083 0.381 -0.298
C10H8 Azulene 17.115 15.520 1.595