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Comparison of polarizabilities for B2PLYP/3-21G*

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 3.309    
(CH3)3CC(CH3)3 tetramethylbutane 11.639 15.610 -3.970
C9H20 Nonane 13.706 17.370 -3.664
AsCl3 Arsenous trichloride 8.167 11.370 -3.203
CSe2 Carbon diselenide 8.070 11.269 -3.199
C6H4Cl2 1,3-dichlorobenzene 10.663 13.729 -3.067
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.582 8.401 -2.818
C6H12 hex-1-ene 8.843 11.650 -2.808
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.560 8.000 -2.440
C4H2 Diacetylene 4.543 6.811 -2.267
C5H8O Cyclopentanone 7.020 9.250 -2.229
CH3CH2SH ethanethiol 5.164 7.380 -2.216
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.320 6.499 -2.179
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.335 6.499 -2.165
CH2ClCH2OH 2-Chloroethanol 4.813 6.880 -2.067
SeF6 Selenium hexafluoride 3.255 5.320 -2.065
CH3CH(CH3)CN Propanenitrile, 2-methyl- 5.989 8.049 -2.061
NO2 Nitrogen dioxide 0.875 2.910 -2.035
Cl2 Chlorine diatomic 2.594 4.610 -2.016
CH3CH2COOH Propanoic Acid 4.951 6.960 -2.009
C4H10O 1-Butanol 6.564 8.570 -2.005
C4H8O2 Ethyl acetate 6.626 8.620 -1.994
C2N2 Cyanogen 3.289 5.015 -1.726
SiH4 Silane 3.141 4.777 -1.637
H2S Hydrogen sulfide 2.002 3.631 -1.629
CHONH2 formamide 2.538 4.080 -1.542
CHONH2 formamide 2.538 4.080 -1.542
C2H4 Ethylene 2.666 4.188 -1.522
HCl Hydrogen chloride 1.179 2.515 -1.336
CH3NH2 methyl amine 2.532 3.754 -1.222
N2O Nitrous oxide 1.812 2.998 -1.186
NH3 Ammonia 0.962 2.103 -1.141
CH3OH Methyl alcohol 2.120 3.210 -1.089
CO2 Carbon dioxide 1.585 2.507 -0.923
H2O Water 0.617 1.501 -0.884
CH3F Methyl fluoride 1.673 2.540 -0.867
NO Nitric oxide 0.890 1.698 -0.808
O2 Oxygen diatomic 0.765 1.562 -0.797
CH4 Methane 1.696 2.448 -0.752
CO Carbon monoxide 1.255 1.953 -0.698
N2 Nitrogen diatomic 1.021 1.710 -0.689
F2 Fluorine diatomic 0.486 1.160 -0.675
HF Hydrogen fluoride 0.256 0.800 -0.544
C10H8 Azulene 14.992 15.520 -0.528