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Comparison of polarizabilities for MP2=FULL/STO-3G

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 1.632    
C9H20 Nonane 7.333 17.370 -10.037
(CH3)3CC(CH3)3 tetramethylbutane 6.356 15.610 -9.254
C6H4Cl2 1,3-dichlorobenzene 6.664 13.729 -7.065
C6H12 hex-1-ene 4.807 11.650 -6.843
AsCl3 Arsenous trichloride 4.531 11.370 -6.839
CSe2 Carbon diselenide 4.526 11.269 -6.744
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 3.130 8.401 -5.271
CH2ClCH2Cl Ethane, 1,2-dichloro- 2.762 8.000 -5.239
C5H8O Cyclopentanone 4.015 9.250 -5.235
CH3CH2SH ethanethiol 2.543 7.380 -4.836
CH3CH(CH3)CH3 Isobutane 3.180 8.009 -4.830
C4H8O2 Ethyl acetate 3.922 8.620 -4.698
CH3CH(CH3)CN Propanenitrile, 2-methyl- 3.372 8.049 -4.677
NH2CH2CH2CH3 1-Propanamine 3.031 7.700 -4.668
C10H8 Azulene 10.920 15.520 -4.600
CH2ClCH2OH 2-Chloroethanol 2.606 6.880 -4.274
C4H2 Diacetylene 2.556 6.811 -4.255
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 2.303 6.499 -4.197
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 2.310 6.499 -4.189
H2Se Hydrogen selenide 1.085 4.770 -3.685
SiH4 Silane 1.404 4.777 -3.373
Cl2 Chlorine diatomic 1.251 4.610 -3.359
C2N2 Cyanogen 1.978 5.015 -3.037
PH3 Phosphine 1.325 4.237 -2.911
H2S Hydrogen sulfide 0.849 3.631 -2.782
C2H4 Ethylene 1.449 4.188 -2.739
CHONH2 formamide 1.634 4.080 -2.446
SeF6 Selenium hexafluoride 2.889 5.320 -2.431
CHONH2 formamide 1.653 4.080 -2.426
CH3NH2 methyl amine 1.434 3.754 -2.319
HCl Hydrogen chloride 0.423 2.515 -2.091
NO2 Nitrogen dioxide 1.098 2.910 -1.813
N2O Nitrous oxide 1.342 2.998 -1.656
CH4 Methane 0.815 2.448 -1.633
CH3F Methyl fluoride 0.926 2.540 -1.614
O2 Oxygen diatomic 0.014 1.562 -1.548
NH3 Ammonia 0.642 2.103 -1.461
CO2 Carbon dioxide 1.142 2.507 -1.366
CO Carbon monoxide 0.715 1.953 -1.238
NO Nitric oxide 0.463 1.698 -1.235
H2O Water 0.410 1.501 -1.091
N2 Nitrogen diatomic 0.628 1.710 -1.082
F2 Fluorine diatomic 0.269 1.160 -0.892
HF Hydrogen fluoride 0.176 0.800 -0.624