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Comparison of polarizabilities for MP2=FULL/3-21G*

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 6.417    
O2 Oxygen diatomic -7.279 1.562 -8.841
C16H10 Pyrene 22.660 29.720 -7.060
PBr3 Phosphorus tribromide 9.653 14.380 -4.727
NO2 Nitrogen dioxide -1.639 2.910 -4.549
C10H8 naphthalene 13.215 17.400 -4.185
C2F6 hexafluoroethane 2.681 6.819 -4.138
(CH3)3CC(CH3)3 tetramethylbutane 11.506 15.610 -4.103
C10H22 Decane 15.059 19.100 -4.040
C9H20 Nonane 13.539 17.370 -3.831
GeCl4 Germanium Tetrachloride 8.842 12.490 -3.649
CCl3CHO trichloroacetaldehyde 7.023 10.500 -3.477
C6H15N triethylamine 9.954 13.380 -3.425
AsCl3 Arsenous trichloride 7.969 11.370 -3.401
C6H4Cl2 1,3-dichlorobenzene 10.475 13.729 -3.254
CH3CHBrCH3 i-propyl bromide 6.540 9.600 -3.060
C6H12 hex-1-ene 8.649 11.650 -3.001
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.426 8.401 -2.975
CSe2 Carbon diselenide 8.365 11.269 -2.904
HCCCl Chloroacetylene 3.188 6.070 -2.881
C6H5F Fluorobenzene 7.321 10.200 -2.879
C3H7OC3H7 di-n-propyl ether 9.636 12.219 -2.584
C4H2 Diacetylene 4.237 6.811 -2.574
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.446 8.000 -2.554
C4H2 Diacetylene 4.264 6.811 -2.547
CH3CH2CH2Br n-propyl bromide 6.583 9.070 -2.487
CH3CH2CH2CN Butanenitrile 5.934 8.400 -2.466
CHCCH2CH3 1-Butyne 4.950 7.410 -2.460
CH3CH2SH ethanethiol 5.083 7.380 -2.297
C5H8O Cyclopentanone 6.961 9.250 -2.289
NH2CH2CH2CH3 1-Propanamine 5.414 7.700 -2.285
C3H4N2 1H-Imidazole 4.820 7.090 -2.269
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.240 6.499 -2.259
BeH2 beryllium dihydride 2.083 4.340 -2.257
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.255 6.499 -2.245
SeF6 Selenium hexafluoride 3.125 5.320 -2.195
CH3CH(CH3)CN Propanenitrile, 2-methyl- 5.889 8.049 -2.160
CH2ClCH2OH 2-Chloroethanol 4.724 6.880 -2.156
C3H7NO dimethylformamide 5.708 7.809 -2.102
C4H10O 1-Butanol 6.477 8.570 -2.093
Cl2 Chlorine diatomic 2.527 4.610 -2.083
SF6 Sulfur Hexafluoride 2.409 4.490 -2.081
CH3CH2COOH Propanoic Acid 4.905 6.960 -2.055
C4H8O2 Ethyl acetate 6.569 8.620 -2.050
P Phosphorus atom 1.629 3.630 -2.001
H2Se Hydrogen selenide 2.775 4.770 -1.995
C6F6 hexafluorobenzene 7.619 9.580 -1.961
C3H7ONO Propyl nitrite 6.558 8.500 -1.942
C2N2 Cyanogen 3.111 5.015 -1.903
C2H2 Acetylene 1.781 3.487 -1.706
SiH4 Silane 3.091 4.777 -1.687
H2S Hydrogen sulfide 1.975 3.631 -1.655
Xe Xenon atom 2.366 4.005 -1.639
O3 Ozone 1.469 3.079 -1.611
C2H4 Ethylene 2.590 4.188 -1.597
C3H6 Cyclopropane 4.045 5.640 -1.595
GeF4 Germanium tetrafluoride 2.464 4.050 -1.586
N2H4 Hydrazine 1.896 3.460 -1.564
CHONH2 formamide 2.539 4.080 -1.541
CHONH2 formamide 2.539 4.080 -1.541
PH3 Phosphine 2.853 4.237 -1.384
SO2 Sulfur dioxide 2.503 3.882 -1.380
HCl Hydrogen chloride 1.162 2.515 -1.353
C3H8 Propane 4.585 5.921 -1.336
CH3NH2 methyl amine 2.503 3.754 -1.250
NH3 Ammonia 0.951 2.103 -1.151
HCN Hydrogen cyanide 1.458 2.593 -1.135
H2CO Formaldehyde 1.636 2.770 -1.134
N2O Nitrous oxide 1.890 2.998 -1.107
Ar Argon atom 0.564 1.664 -1.100
C2H6 Ethane 3.148 4.226 -1.079
NO Nitric oxide 0.635 1.698 -1.063
H2O Water 0.595 1.501 -0.906
CH3F Methyl fluoride 1.655 2.540 -0.885
CO2 Carbon dioxide 1.671 2.507 -0.836
CH4 Methane 1.689 2.448 -0.759
F2 Fluorine diatomic 0.438 1.160 -0.722
N2 Nitrogen diatomic 1.013 1.710 -0.697
CO Carbon monoxide 1.286 1.953 -0.667
CO Carbon monoxide 1.330 1.953 -0.623
HF Hydrogen fluoride 0.247 0.800 -0.553
C10H8 Azulene 15.037 15.520 -0.483
Ne Neon atom 0.017 0.381 -0.364
Be Beryllium atom 5.326 5.600 -0.274
Li Lithium atom 26.791 24.330 2.461