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Comparison of polarizabilities for B2PLYP/TZVP

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 4.217    
AsCl3 Arsenous trichloride 8.645 11.370 -2.725
CSe2 Carbon diselenide 9.062 11.269 -2.208
Cl2 Chlorine diatomic 2.714 4.610 -1.896
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.710 8.401 -1.690
(CH3)3CC(CH3)3 tetramethylbutane 14.071 15.610 -1.539
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.514 8.000 -1.486
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.146 6.499 -1.354
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.174 6.499 -1.325
H2S Hydrogen sulfide 2.306 3.631 -1.324
HCl Hydrogen chloride 1.340 2.515 -1.174
CH2ClCH2OH 2-Chloroethanol 5.709 6.880 -1.171
CH3CH2SH ethanethiol 6.213 7.380 -1.166
C9H20 Nonane 16.250 17.370 -1.120
SiH4 Silane 3.871 4.777 -0.907
SeF6 Selenium hexafluoride 4.427 5.320 -0.892
C6H12 hex-1-ene 10.775 11.650 -0.875
C6H4Cl2 1,3-dichlorobenzene 12.895 13.729 -0.834
C5H8O Cyclopentanone 8.417 9.250 -0.833
C2N2 Cyanogen 4.209 5.015 -0.806
CH3CH2COOH Propanoic Acid 6.173 6.960 -0.787
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.330 8.049 -0.719
C4H2 Diacetylene 6.106 6.811 -0.704
C4H10O 1-Butanol 7.891 8.570 -0.678
NO2 Nitrogen dioxide 2.280 2.910 -0.631
NH3 Ammonia 1.483 2.103 -0.619
C4H8O2 Ethyl acetate 8.014 8.620 -0.606
CHONH2 formamide 3.480 4.080 -0.600
CHONH2 formamide 3.480 4.080 -0.600
CH3OH Methyl alcohol 2.633 3.210 -0.576
N2O Nitrous oxide 2.440 2.998 -0.558
H2O Water 0.944 1.501 -0.557
CH3NH2 methyl amine 3.219 3.754 -0.534
CH3F Methyl fluoride 2.092 2.540 -0.448
O2 Oxygen diatomic 1.136 1.562 -0.426
NO Nitric oxide 1.289 1.698 -0.409
CO2 Carbon dioxide 2.126 2.507 -0.381
H2 Hydrogen diatomic 0.429 0.787 -0.358
F2 Fluorine diatomic 0.808 1.160 -0.352
CH4 Methane 2.102 2.448 -0.346
HF Hydrogen fluoride 0.472 0.800 -0.328
N2 Nitrogen diatomic 1.439 1.710 -0.271
CO Carbon monoxide 1.690 1.953 -0.263
H2+ Hydrogen cation 0.324 0.469 -0.146
C10H8 Azulene 18.269 15.520 2.749