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Comparison of polarizabilities for MP2/STO-3G

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 3.813    
C24H12 Coronene 26.453 42.499 -16.047
C16H10 Pyrene 16.124 29.720 -13.596
C10H22 Decane 8.173 19.100 -10.926
C9H20 Nonane 7.337 17.370 -10.033
(CH3)3CC(CH3)3 tetramethylbutane 6.359 15.610 -9.251
PBr3 Phosphorus tribromide 5.132 14.380 -9.247
C10H8 naphthalene 9.045 17.400 -8.354
GeCl4 Germanium Tetrachloride 4.377 12.490 -8.113
C6H15N triethylamine 5.519 13.380 -7.861
C6H4Cl2 1,3-dichlorobenzene 6.666 13.729 -7.063
C3H7OC3H7 di-n-propyl ether 5.355 12.219 -6.864
C6H12 hex-1-ene 4.809 11.650 -6.841
AsCl3 Arsenous trichloride 4.532 11.370 -6.838
CSe2 Carbon diselenide 4.527 11.269 -6.742
CCl3CHO trichloroacetaldehyde 3.878 10.500 -6.622
CH3CHBrCH3 i-propyl bromide 3.189 9.600 -6.411
CH3CH2CH2Br n-propyl bromide 3.191 9.070 -5.879
C5H10 Cyclopentane 3.824 9.170 -5.346
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 3.131 8.401 -5.270
CH2ClCH2Cl Ethane, 1,2-dichloro- 2.763 8.000 -5.238
C5H8O Cyclopentanone 4.017 9.250 -5.233
CH3CH2CH2CN Butanenitrile 3.386 8.400 -5.014
C4H10O 1-Butanol 3.627 8.570 -4.942
CH3CH2SH ethanethiol 2.545 7.380 -4.835
CH3CH(CH3)CH3 Isobutane 3.181 8.009 -4.828
CH3CH2SH ethanethiol 2.563 7.380 -4.816
C4H8O2 Ethyl acetate 3.923 8.620 -4.697
CH3CH(CH3)CN Propanenitrile, 2-methyl- 3.373 8.049 -4.676
C3H7ONO Propyl nitrite 3.825 8.500 -4.675
NH2CH2CH2CH3 1-Propanamine 3.033 7.700 -4.667
CHCCH2CH3 1-Butyne 2.782 7.410 -4.628
C2F6 hexafluoroethane 2.210 6.819 -4.610
C10H8 Azulene 10.925 15.520 -4.595
C4H5N Pyrrole 3.456 7.940 -4.484
C3H7NO dimethylformamide 3.367 7.809 -4.442
HCCCl Chloroacetylene 1.632 6.070 -4.437
C3H7NO dimethylformamide 3.459 7.809 -4.350
CH2ClCH2OH 2-Chloroethanol 2.607 6.880 -4.273
C4H2 Diacetylene 2.556 6.811 -4.255
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 2.304 6.499 -4.196
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 2.311 6.499 -4.189
CH3CH2COOH Propanoic Acid 2.972 6.960 -3.988
C3H4N2 1H-Imidazole 3.172 7.090 -3.918
H2Se Hydrogen selenide 1.086 4.770 -3.685
C3H8 Propane 2.392 5.921 -3.529
C6F6 hexafluorobenzene 6.203 9.580 -3.377
SiH4 Silane 1.404 4.777 -3.373
Cl2 Chlorine diatomic 1.251 4.610 -3.359
BeH2 beryllium dihydride 1.221 4.340 -3.119
C2N2 Cyanogen 1.978 5.015 -3.037
PH3 Phosphine 1.325 4.237 -2.912
H2S Hydrogen sulfide 0.849 3.631 -2.782
C2H4 Ethylene 1.449 4.188 -2.738
C2H6 Ethane 1.602 4.226 -2.625
CHONH2 formamide 1.634 4.080 -2.445
SeF6 Selenium hexafluoride 2.889 5.320 -2.431
CHONH2 formamide 1.654 4.080 -2.426
GeF4 Germanium tetrafluoride 1.645 4.050 -2.404
O3 Ozone 0.750 3.079 -2.329
CH3NH2 methyl amine 1.435 3.754 -2.319
N2H4 Hydrazine 1.332 3.460 -2.128
NO2 Nitrogen dioxide 1.098 2.910 -1.812
HCN Hydrogen cyanide 0.865 2.593 -1.728
N2O Nitrous oxide 1.343 2.998 -1.655
CH4 Methane 0.816 2.448 -1.632
CH3F Methyl fluoride 0.926 2.540 -1.614
NH3 Ammonia 0.642 2.103 -1.461
CO2 Carbon dioxide 1.142 2.507 -1.365
O2 Oxygen diatomic 0.239 1.562 -1.323
CO Carbon monoxide 0.677 1.953 -1.276
CO Carbon monoxide 0.715 1.953 -1.238
NO Nitric oxide 0.464 1.698 -1.234
H2O Water 0.410 1.501 -1.091
N2 Nitrogen diatomic 0.628 1.710 -1.082