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Comparison of polarizabilities for B2PLYP/aug-cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 8.790    
HCCCl Chloroacetylene 5.422 6.070 -0.648
CSe2 Carbon diselenide 10.841 11.269 -0.428
O3 Ozone 2.656 3.079 -0.423
H2Se Hydrogen selenide 4.440 4.770 -0.330
CH3CH2CH2CN Butanenitrile 8.116 8.400 -0.284
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.222 6.499 -0.278
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.237 6.499 -0.263
Cl2 Chlorine diatomic 4.367 4.610 -0.243
AsCl3 Arsenous trichloride 11.157 11.370 -0.213
NO2 Nitrogen dioxide 2.730 2.910 -0.180
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.248 8.401 -0.153
C5H8O Cyclopentanone 9.103 9.250 -0.147
NH2CH2CH2CH3 1-Propanamine 7.564 7.700 -0.135
H2S Hydrogen sulfide 3.516 3.631 -0.115
HCl Hydrogen chloride 2.402 2.515 -0.112
H2O Water 1.390 1.501 -0.111
N2O Nitrous oxide 2.901 2.998 -0.097
O2 Oxygen diatomic 1.474 1.562 -0.088
CH3CH2COOH Propanoic Acid 6.887 6.960 -0.073
CHCCH2CH3 1-Butyne 7.338 7.410 -0.072
C2N2 Cyanogen 4.944 5.015 -0.070
NO Nitric oxide 1.647 1.698 -0.051
SiH4 Silane 4.728 4.777 -0.050
HF Hydrogen fluoride 0.752 0.800 -0.048
C2H4 Ethylene 4.143 4.188 -0.045
CH3OH Methyl alcohol 3.172 3.210 -0.037
H2+ Hydrogen cation 0.435 0.469 -0.034
F2 Fluorine diatomic 1.135 1.160 -0.025
CH3CH2SH ethanethiol 7.359 7.380 -0.021
N2H4 Hydrazine 3.441 3.460 -0.019
CH3F Methyl fluoride 2.521 2.540 -0.018
CO Carbon monoxide 1.935 1.953 -0.018
NH3 Ammonia 2.095 2.103 -0.008
CH3CH(CH3)CN Propanenitrile, 2-methyl- 8.056 8.049 0.006
H2 Hydrogen diatomic 0.794 0.787 0.007
CH2ClCH2OH 2-Chloroethanol 6.892 6.880 0.012
N2 Nitrogen diatomic 1.747 1.710 0.037
P Phosphorus atom 3.671 3.630 0.041
CO2 Carbon dioxide 2.549 2.507 0.042
CH2ClCH2Cl Ethane, 1,2-dichloro- 8.051 8.000 0.050
CH4 Methane 2.512 2.448 0.064
SeF6 Selenium hexafluoride 5.399 5.320 0.079
C2H6 Ethane 4.307 4.226 0.081
CHONH2 formamide 4.167 4.080 0.088
CHONH2 formamide 4.167 4.080 0.088
C6H12 hex-1-ene 11.742 11.650 0.091
C4H10O 1-Butanol 8.676 8.570 0.107
CH3NH2 methyl amine 3.868 3.754 0.114
C4H8O2 Ethyl acetate 8.829 8.620 0.209
C3H8 Propane 6.136 5.921 0.214
C10H22 Decane 19.314 19.100 0.215
C3H4N2 1H-Imidazole 7.347 7.090 0.257
PH3 Phosphine 4.521 4.237 0.284
C4H2 Diacetylene 7.343 6.811 0.532
C10H8 naphthalene 18.057 17.400 0.658
C6H4Cl2 1,3-dichlorobenzene 14.764 13.729 1.035
C10H8 Azulene 19.861 15.520 4.341