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Comparison of polarizabilities for MP2=FULL/6-311G*

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.303    
C16H10 Pyrene 25.725 29.720 -3.995
PBr3 Phosphorus tribromide 10.410 14.380 -3.970
C2F6 hexafluoroethane 3.345 6.819 -3.474
AsCl3 Arsenous trichloride 8.622 11.370 -2.748
CCl3CHO trichloroacetaldehyde 7.755 10.500 -2.745
GeCl4 Germanium Tetrachloride 9.785 12.490 -2.706
(CH3)3CC(CH3)3 tetramethylbutane 13.212 15.610 -2.397
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.029 8.401 -2.372
HCCCl Chloroacetylene 3.775 6.070 -2.294
CH3CHBrCH3 i-propyl bromide 7.346 9.600 -2.254
C10H8 naphthalene 15.190 17.400 -2.209
NO2 Nitrogen dioxide 0.743 2.910 -2.168
CSe2 Carbon diselenide 9.109 11.269 -2.160
C10H22 Decane 16.940 19.100 -2.160
C9H20 Nonane 15.245 17.370 -2.125
Cl2 Chlorine diatomic 2.560 4.610 -2.050
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.983 8.000 -2.018
P Phosphorus atom 1.661 3.630 -1.969
C6H15N triethylamine 11.418 13.380 -1.962
C6H4Cl2 1,3-dichlorobenzene 11.832 13.729 -1.897
BeH2 beryllium dihydride 2.461 4.340 -1.879
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.695 6.499 -1.804
CH3CH2CH2Br n-propyl bromide 7.279 9.070 -1.791
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.718 6.499 -1.781
C6H12 hex-1-ene 9.909 11.650 -1.741
C6H5F Fluorobenzene 8.513 10.200 -1.687
O3 Ozone 1.401 3.079 -1.678
CH2ClCH2OH 2-Chloroethanol 5.212 6.880 -1.669
H2Se Hydrogen selenide 3.129 4.770 -1.641
CH3CH2SH ethanethiol 5.748 7.380 -1.632
CH3CH2CH2CN Butanenitrile 6.801 8.400 -1.599
CHCCH2CH3 1-Butyne 5.838 7.410 -1.572
CH3CH2SH ethanethiol 5.836 7.380 -1.543
C4H5N Pyrrole 6.397 7.940 -1.542
Cl Chlorine atom 0.703 2.180 -1.477
NH2CH2CH2CH3 1-Propanamine 6.252 7.700 -1.447
C3H7OC3H7 di-n-propyl ether 10.776 12.219 -1.443
H2S Hydrogen sulfide 2.190 3.631 -1.441
C4H2 Diacetylene 5.396 6.811 -1.415
C4H2 Diacetylene 5.400 6.811 -1.410
C5H8O Cyclopentanone 7.869 9.250 -1.381
C3H4N2 1H-Imidazole 5.742 7.090 -1.348
CH3CH2COOH Propanoic Acid 5.620 6.960 -1.340
SF6 Sulfur Hexafluoride 3.167 4.490 -1.323
C5H10 Cyclopentane 7.877 9.170 -1.292
C4H10O 1-Butanol 7.296 8.570 -1.273
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.777 8.049 -1.272
HCl Hydrogen chloride 1.246 2.515 -1.269
C4H8O2 Ethyl acetate 7.363 8.620 -1.257
SeF6 Selenium hexafluoride 4.069 5.320 -1.251
C3H7ONO Propyl nitrite 7.251 8.500 -1.249
C2N2 Cyanogen 3.833 5.015 -1.181
N2H4 Hydrazine 2.289 3.460 -1.171
SiH4 Silane 3.611 4.777 -1.166
Ar Argon atom 0.505 1.664 -1.159
CH3CH(CH3)CH3 Isobutane 6.895 8.009 -1.114
C2H4 Ethylene 3.098 4.188 -1.089
CH3NO2 Methane, nitro- 3.777 4.800 -1.023
CHONH2 formamide 3.073 4.080 -1.006
CHONH2 formamide 3.083 4.080 -0.997
PH3 Phosphine 3.335 4.237 -0.901
CH3NH2 methyl amine 2.905 3.754 -0.849
NH3 Ammonia 1.284 2.103 -0.819
O2 Oxygen diatomic 0.755 1.562 -0.807
O2 Oxygen diatomic 0.758 1.562 -0.804
N2O Nitrous oxide 2.211 2.998 -0.787
NO Nitric oxide 0.916 1.698 -0.782
HCN Hydrogen cyanide 1.819 2.593 -0.774
H2O Water 0.763 1.501 -0.738
C Carbon atom 1.048 1.760 -0.712
C3H8 Propane 5.234 5.921 -0.687
CH3F Methyl fluoride 1.865 2.540 -0.674
C2H6 Ethane 3.578 4.226 -0.648
CH3CHO Acetaldehyde 3.654 4.278 -0.624
N Nitrogen atom 0.477 1.100 -0.623
CO Carbon monoxide 1.368 1.953 -0.585
F2 Fluorine diatomic 0.592 1.160 -0.568
CO2 Carbon dioxide 1.960 2.507 -0.548
CH4 Methane 1.918 2.448 -0.531
O Oxygen atom 0.288 0.802 -0.514
N2 Nitrogen diatomic 1.256 1.710 -0.454
HF Hydrogen fluoride 0.352 0.800 -0.448
CO Carbon monoxide 1.523 1.953 -0.430
F Fluorine atom 0.148 0.557 -0.409
Ne Neon atom 0.081 0.381 -0.300
Be Beryllium atom 5.975 5.600 0.375
Li Lithium atom 24.942 24.330 0.612
C10H8 Azulene 16.933 15.520 1.413
Na Sodium atom 26.701 24.110 2.591