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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 7.412    
PBr3 Phosphorus tribromide 10.410 14.380 -3.970
C16H10 Pyrene 25.876 29.720 -3.844
CCl4 Carbon tetrachloride 7.239 10.002 -2.763
AsCl3 Arsenous trichloride 8.622 11.370 -2.748
CCl3CHO trichloroacetaldehyde 7.772 10.500 -2.728
GeCl4 Germanium Tetrachloride 9.785 12.490 -2.706
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.058 8.401 -2.342
HCCCl Chloroacetylene 3.802 6.070 -2.267
(CH3)3CC(CH3)3 tetramethylbutane 13.398 15.610 -2.212
CH3CHBrCH3 i-propyl bromide 7.425 9.600 -2.175
NO2 Nitrogen dioxide 0.743 2.910 -2.168
CSe2 Carbon diselenide 9.109 11.269 -2.160
Cl2 Chlorine diatomic 2.560 4.610 -2.050
P Phosphorus atom 1.661 3.630 -1.969
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.040 8.000 -1.961
BeH2 beryllium dihydride 2.421 4.340 -1.920
C10H22 Decane 17.203 19.100 -1.896
C9H20 Nonane 15.483 17.370 -1.888
C6H4Cl2 1,3-dichlorobenzene 11.898 13.729 -1.832
C6H15N triethylamine 11.590 13.380 -1.789
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.753 6.499 -1.746
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.773 6.499 -1.726
CH3CH2CH2Br n-propyl bromide 7.365 9.070 -1.705
O3 Ozone 1.401 3.079 -1.678
H2Se Hydrogen selenide 3.120 4.770 -1.650
C6H12 hex-1-ene 10.055 11.650 -1.595
CH2ClCH2OH 2-Chloroethanol 5.298 6.880 -1.583
CH3CH2SH ethanethiol 5.843 7.380 -1.537
CH3CH2CH2CN Butanenitrile 6.885 8.400 -1.515
CHCCH2CH3 1-Butyne 5.924 7.410 -1.486
Cl Chlorine atom 0.703 2.180 -1.477
CH3CH2SH ethanethiol 5.923 7.380 -1.456
C4H5N Pyrrole 6.488 7.940 -1.452
H2S Hydrogen sulfide 2.266 3.631 -1.364
C4H2 Diacetylene 5.447 6.811 -1.363
NH2CH2CH2CH3 1-Propanamine 6.373 7.700 -1.327
C5H8O Cyclopentanone 7.941 9.250 -1.309
C3H7OC3H7 di-n-propyl ether 10.943 12.219 -1.276
C3H4N2 1H-Imidazole 5.815 7.090 -1.275
CH3CH2COOH Propanoic Acid 5.705 6.960 -1.255
SeF6 Selenium hexafluoride 4.069 5.320 -1.251
HCl Hydrogen chloride 1.292 2.515 -1.222
C5H10 Cyclopentane 7.959 9.170 -1.211
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.859 8.049 -1.190
C2N2 Cyanogen 3.833 5.015 -1.181
C3H7ONO Propyl nitrite 7.341 8.500 -1.159
C4H8O2 Ethyl acetate 7.464 8.620 -1.156
C4H10O 1-Butanol 7.427 8.570 -1.142
SiH4 Silane 3.657 4.777 -1.120
B Boron atom 1.968 3.030 -1.062
N2H4 Hydrazine 2.403 3.460 -1.057
C2H4 Ethylene 3.163 4.188 -1.025
CH3CH(CH3)CH3 Isobutane 7.004 8.009 -1.006
CHONH2 formamide 3.135 4.080 -0.944
CHONH2 formamide 3.146 4.080 -0.933
PH3 Phosphine 3.403 4.237 -0.834
O2 Oxygen diatomic 0.755 1.562 -0.807
O2 Oxygen diatomic 0.757 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 1.837 2.593 -0.756
CH3NH2 methyl amine 2.998 3.754 -0.755
NH3 Ammonia 1.376 2.103 -0.727
C Carbon atom 1.048 1.760 -0.712
H2O Water 0.850 1.501 -0.651
CH3F Methyl fluoride 1.915 2.540 -0.625
N Nitrogen atom 0.477 1.100 -0.623
C3H8 Propane 5.326 5.921 -0.595
CO Carbon monoxide 1.368 1.953 -0.585
C2H6 Ethane 3.654 4.226 -0.573
F2 Fluorine diatomic 0.592 1.160 -0.568
CO2 Carbon dioxide 1.960 2.507 -0.548
O Oxygen atom 0.288 0.802 -0.514
CH4 Methane 1.980 2.448 -0.468
N2 Nitrogen diatomic 1.256 1.710 -0.454
CO Carbon monoxide 1.523 1.953 -0.430
F Fluorine atom 0.148 0.557 -0.409
HF Hydrogen fluoride 0.396 0.800 -0.404
H2 Hydrogen diatomic 0.427 0.787 -0.360
H2+ Hydrogen cation 0.323 0.469 -0.147
Be Beryllium atom 5.975 5.600 0.375
Li Lithium atom 24.942 24.330 0.612
C10H8 Azulene 17.068 15.520 1.548
Na Sodium atom 26.701 24.110 2.591