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

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.428    
PBr3 Phosphorus tribromide 10.454 14.380 -3.925
C16H10 Pyrene 25.935 29.720 -3.785
CCl4 Carbon tetrachloride 7.239 10.002 -2.764
AsCl3 Arsenous trichloride 8.616 11.370 -2.755
GeCl4 Germanium Tetrachloride 9.739 12.490 -2.752
CCl3CHO trichloroacetaldehyde 7.776 10.500 -2.725
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.063 8.401 -2.337
HCCCl Chloroacetylene 3.803 6.070 -2.267
(CH3)3CC(CH3)3 tetramethylbutane 13.430 15.610 -2.180
CH3CHBrCH3 i-propyl bromide 7.449 9.600 -2.151
CSe2 Carbon diselenide 9.207 11.269 -2.062
Cl2 Chlorine diatomic 2.559 4.610 -2.051
NO2 Nitrogen dioxide 0.871 2.910 -2.039
C10H8 naphthalene 15.387 17.400 -2.013
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.044 8.000 -1.956
P Phosphorus atom 1.674 3.630 -1.956
BeH2 beryllium dihydride 2.423 4.340 -1.918
C10H22 Decane 17.246 19.100 -1.853
C9H20 Nonane 15.521 17.370 -1.850
C6H4Cl2 1,3-dichlorobenzene 11.914 13.729 -1.816
C6H15N triethylamine 11.615 13.380 -1.765
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.759 6.499 -1.741
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.779 6.499 -1.721
CH3CH2CH2Br n-propyl bromide 7.390 9.070 -1.680
O3 Ozone 1.399 3.079 -1.680
H2Se Hydrogen selenide 3.140 4.770 -1.630
CH2ClCH2OH 2-Chloroethanol 5.304 6.880 -1.576
C6H12 hex-1-ene 10.076 11.650 -1.574
CH3CH2SH ethanethiol 5.851 7.380 -1.529
CH3CH2CH2CN Butanenitrile 6.899 8.400 -1.501
Cl Chlorine atom 0.702 2.180 -1.478
CHCCH2CH3 1-Butyne 5.935 7.410 -1.475
CH3CH2SH ethanethiol 5.931 7.380 -1.449
C4H5N Pyrrole 6.501 7.940 -1.439
H2S Hydrogen sulfide 2.266 3.631 -1.364
C4H2 Diacetylene 5.455 6.811 -1.355
SF6 Sulfur Hexafluoride 3.171 4.490 -1.319
NH2CH2CH2CH3 1-Propanamine 6.387 7.700 -1.313
C5H8O Cyclopentanone 7.959 9.250 -1.290
SeF6 Selenium hexafluoride 4.041 5.320 -1.279
C3H4N2 1H-Imidazole 5.826 7.090 -1.264
C3H7OC3H7 di-n-propyl ether 10.967 12.219 -1.252
CH3CH2COOH Propanoic Acid 5.717 6.960 -1.244
HCl Hydrogen chloride 1.290 2.515 -1.224
C5H10 Cyclopentane 7.978 9.170 -1.192
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.873 8.049 -1.176
C2N2 Cyanogen 3.839 5.015 -1.176
C3H7ONO Propyl nitrite 7.357 8.500 -1.142
C4H8O2 Ethyl acetate 7.479 8.620 -1.141
C4H10O 1-Butanol 7.443 8.570 -1.126
SiH4 Silane 3.656 4.777 -1.122
N2H4 Hydrazine 2.410 3.460 -1.050
B Boron atom 1.981 3.030 -1.049
C2H4 Ethylene 3.167 4.188 -1.021
CH3CH(CH3)CH3 Isobutane 7.018 8.009 -0.992
CHONH2 formamide 3.140 4.080 -0.939
CHONH2 formamide 3.152 4.080 -0.928
PH3 Phosphine 3.403 4.237 -0.833
O2 Oxygen diatomic 0.754 1.562 -0.808
O2 Oxygen diatomic 0.755 1.562 -0.807
NO Nitric oxide 0.911 1.698 -0.787
N2O Nitrous oxide 2.214 2.998 -0.784
HCN Hydrogen cyanide 1.840 2.593 -0.754
CH3NH2 methyl amine 3.004 3.754 -0.749
NH3 Ammonia 1.379 2.103 -0.723
C Carbon atom 1.052 1.760 -0.708
H2O Water 0.852 1.501 -0.649
N Nitrogen atom 0.477 1.100 -0.623
CH3F Methyl fluoride 1.918 2.540 -0.622
C3H8 Propane 5.337 5.921 -0.584
CO Carbon monoxide 1.370 1.953 -0.583
F2 Fluorine diatomic 0.593 1.160 -0.567
C2H6 Ethane 3.660 4.226 -0.566
CO2 Carbon dioxide 1.963 2.507 -0.545
O Oxygen atom 0.288 0.802 -0.514
CH4 Methane 1.982 2.448 -0.466
N2 Nitrogen diatomic 1.257 1.710 -0.453
CO Carbon monoxide 1.524 1.953 -0.429
F Fluorine atom 0.148 0.557 -0.409
HF Hydrogen fluoride 0.397 0.800 -0.403
H2 Hydrogen diatomic 0.427 0.787 -0.360
H2+ Hydrogen cation 0.323 0.469 -0.147
Be Beryllium atom 6.000 5.600 0.400
C10H8 Azulene 17.108 15.520 1.588
Li Lithium atom 26.024 24.330 1.694
Na Sodium atom 407.990 24.110 383.880