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Comparison of polarizabilities for B2PLYP/cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.346    
CSe2 Carbon diselenide 8.057 11.269 -3.212
AsCl3 Arsenous trichloride 8.347 11.370 -3.024
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.013 8.401 -2.388
(CH3)3CC(CH3)3 tetramethylbutane 13.302 15.610 -2.307
HCCCl Chloroacetylene 3.841 6.070 -2.229
C10H8 naphthalene 15.357 17.400 -2.043
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.978 8.000 -2.022
Cl2 Chlorine diatomic 2.668 4.610 -1.942
H2Se Hydrogen selenide 2.869 4.770 -1.901
C10H22 Decane 17.203 19.100 -1.896
C9H20 Nonane 15.475 17.370 -1.896
C6H4Cl2 1,3-dichlorobenzene 11.842 13.729 -1.888
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.719 6.499 -1.780
P Phosphorus atom 1.863 3.630 -1.767
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.757 6.499 -1.742
CH2ClCH2OH 2-Chloroethanol 5.242 6.880 -1.638
C24H12 Coronene 40.865 42.499 -1.634
CH3CH2SH ethanethiol 5.767 7.380 -1.612
C6H12 hex-1-ene 10.100 11.650 -1.551
CH3CH2CH2CN Butanenitrile 6.871 8.400 -1.529
CHCCH2CH3 1-Butyne 5.958 7.410 -1.452
SeF6 Selenium hexafluoride 3.893 5.320 -1.427
H2S Hydrogen sulfide 2.212 3.631 -1.419
NH2CH2CH2CH3 1-Propanamine 6.304 7.700 -1.395
C3H4N2 1H-Imidazole 5.730 7.090 -1.360
C5H8O Cyclopentanone 7.889 9.250 -1.360
O3 Ozone 1.745 3.079 -1.335
CH3CH2COOH Propanoic Acid 5.638 6.960 -1.322
HCl Hydrogen chloride 1.279 2.515 -1.235
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.827 8.049 -1.222
C4H8O2 Ethyl acetate 7.425 8.620 -1.195
C4H10O 1-Butanol 7.403 8.570 -1.166
C4H2 Diacetylene 5.645 6.811 -1.165
C2N2 Cyanogen 3.850 5.015 -1.165
N2H4 Hydrazine 2.323 3.460 -1.137
NO2 Nitrogen dioxide 1.877 2.910 -1.034
CHONH2 formamide 3.052 4.080 -1.028
CHONH2 formamide 3.055 4.080 -1.024
C2H4 Ethylene 3.170 4.188 -1.018
N2O Nitrous oxide 2.083 2.998 -0.915
SiH4 Silane 3.914 4.777 -0.863
PH3 Phosphine 3.424 4.237 -0.813
CH3OH Methyl alcohol 2.412 3.210 -0.798
CH3NH2 methyl amine 2.962 3.754 -0.791
NH3 Ammonia 1.313 2.103 -0.789
H2O Water 0.788 1.501 -0.713
CO2 Carbon dioxide 1.850 2.507 -0.658
O2 Oxygen diatomic 0.906 1.562 -0.656
NO Nitric oxide 1.055 1.698 -0.643
C3H8 Propane 5.290 5.921 -0.632
CH3F Methyl fluoride 1.923 2.540 -0.617
C2H6 Ethane 3.627 4.226 -0.599
F2 Fluorine diatomic 0.624 1.160 -0.536
CO Carbon monoxide 1.442 1.953 -0.511
N2 Nitrogen diatomic 1.217 1.710 -0.493
CH4 Methane 1.968 2.448 -0.480
HF Hydrogen fluoride 0.371 0.800 -0.429
H2 Hydrogen diatomic 0.444 0.787 -0.344
H2+ Hydrogen cation 0.349 0.469 -0.121
C10H8 Azulene 16.924 15.520 1.404