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Comparison of polarizabilities for B2PLYP/6-311G**

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.534    
AsCl3 Arsenous trichloride 8.874 11.370 -2.496
CSe2 Carbon diselenide 8.924 11.269 -2.345
HCCCl Chloroacetylene 3.903 6.070 -2.167
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.250 8.401 -2.151
(CH3)3CC(CH3)3 tetramethylbutane 13.612 15.610 -1.997
Cl2 Chlorine diatomic 2.641 4.610 -1.969
P Phosphorus atom 1.689 3.630 -1.941
C10H8 naphthalene 15.546 17.400 -1.854
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.195 8.000 -1.806
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.867 6.499 -1.632
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.891 6.499 -1.609
C9H20 Nonane 15.778 17.370 -1.592
C6H4Cl2 1,3-dichlorobenzene 12.138 13.729 -1.591
H2Se Hydrogen selenide 3.200 4.770 -1.570
C10H22 Decane 17.535 19.100 -1.564
CH2ClCH2OH 2-Chloroethanol 5.419 6.880 -1.461
C24H12 Coronene 41.094 42.499 -1.406
CH3CH2CH2CN Butanenitrile 7.016 8.400 -1.384
CHCCH2CH3 1-Butyne 6.064 7.410 -1.346
C6H12 hex-1-ene 10.306 11.650 -1.345
CH3CH2SH ethanethiol 6.064 7.380 -1.315
H2S Hydrogen sulfide 2.322 3.631 -1.308
O3 Ozone 1.829 3.079 -1.250
C5H8O Cyclopentanone 8.044 9.250 -1.206
NH2CH2CH2CH3 1-Propanamine 6.496 7.700 -1.203
HCl Hydrogen chloride 1.321 2.515 -1.194
C3H4N2 1H-Imidazole 5.903 7.090 -1.186
CH3CH2COOH Propanoic Acid 5.794 6.960 -1.166
C4H2 Diacetylene 5.663 6.811 -1.148
SeF6 Selenium hexafluoride 4.223 5.320 -1.097
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.984 8.049 -1.065
C2N2 Cyanogen 3.953 5.015 -1.061
C4H8O2 Ethyl acetate 7.594 8.620 -1.026
N2H4 Hydrazine 2.453 3.460 -1.007
C4H10O 1-Butanol 7.572 8.570 -0.998
SiH4 Silane 3.802 4.777 -0.975
NO2 Nitrogen dioxide 1.967 2.910 -0.943
C2H4 Ethylene 3.253 4.188 -0.935
CHONH2 formamide 3.169 4.080 -0.910
N2O Nitrous oxide 2.166 2.998 -0.832
PH3 Phosphine 3.496 4.237 -0.740
CH3OH Methyl alcohol 2.474 3.210 -0.736
NH3 Ammonia 1.400 2.103 -0.703
CH3NH2 methyl amine 3.055 3.754 -0.699
H2O Water 0.865 1.501 -0.636
O2 Oxygen diatomic 0.958 1.562 -0.604
CO2 Carbon dioxide 1.903 2.507 -0.604
NO Nitric oxide 1.109 1.698 -0.589
CH3F Methyl fluoride 1.952 2.540 -0.588
C2H6 Ethane 3.714 4.226 -0.513
C3H8 Propane 5.417 5.921 -0.504
F2 Fluorine diatomic 0.657 1.160 -0.504
CO Carbon monoxide 1.510 1.953 -0.443
N2 Nitrogen diatomic 1.274 1.710 -0.436
CH4 Methane 2.014 2.448 -0.434
HF Hydrogen fluoride 0.404 0.800 -0.396
H2 Hydrogen diatomic 0.439 0.787 -0.348
H2+ Hydrogen cation 0.330 0.469 -0.139
C10H8 Azulene 17.147 15.520 1.627