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Comparison of polarizabilities for BLYP/aug-cc-pVTZ

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 9.336    
O3 Ozone 2.911 3.079 -0.169
H2+ Hydrogen cation 0.455 0.469 -0.014
NO2 Nitrogen dioxide 2.905 2.910 -0.006
N2O Nitrous oxide 3.007 2.998 0.009
C3H6 Cyclopropane 5.683 5.640 0.043
H2 Hydrogen diatomic 0.847 0.787 0.060
O2 Oxygen diatomic 1.624 1.562 0.062
H2CO Formaldehyde 2.832 2.770 0.062
H2O Water 1.570 1.501 0.069
CO Carbon monoxide 2.041 1.953 0.088
HF Hydrogen fluoride 0.892 0.800 0.092
C2H4 Ethylene 4.288 4.188 0.100
NO Nitric oxide 1.801 1.698 0.103
CH3CH2CH2CN Butanenitrile 8.514 8.400 0.114
C2H2 Acetylene 3.606 3.487 0.119
H2Se Hydrogen selenide 4.890 4.770 0.120
N2 Nitrogen diatomic 1.833 1.710 0.123
F2 Fluorine diatomic 1.285 1.160 0.125
CH3F Methyl fluoride 2.705 2.540 0.165
Cl2 Chlorine diatomic 4.775 4.610 0.165
CO2 Carbon dioxide 2.676 2.507 0.169
SiH4 Silane 4.950 4.777 0.173
CH4 Methane 2.626 2.448 0.178
HCl Hydrogen chloride 2.694 2.515 0.179
BF3 Borane, trifluoro- 2.601 2.420 0.181
C2N2 Cyanogen 5.197 5.015 0.182
SO2 Sulfur dioxide 4.070 3.882 0.187
NH3 Ammonia 2.310 2.103 0.208
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.711 6.499 0.212
H2S Hydrogen sulfide 3.847 3.631 0.216
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.729 6.499 0.230
C2H6 Ethane 4.492 4.226 0.266
N2H4 Hydrazine 3.747 3.460 0.287
CH2CHCH3 Propene 6.305 5.990 0.315
NH2CH2CH2CH3 1-Propanamine 8.017 7.700 0.318
FCN Cyanogen fluoride 2.883 2.550 0.333
CH3NH2 methyl amine 4.132 3.754 0.378
CHONH2 formamide 4.521 4.080 0.442
CH3CH2SH ethanethiol 7.829 7.380 0.449
P Phosphorus atom 4.123 3.630 0.493
C3H8 Propane 6.416 5.921 0.494
CH2ClCH2OH 2-Chloroethanol 7.415 6.880 0.534
PH3 Phosphine 4.772 4.237 0.536
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.984 8.401 0.584
C3H4N2 1H-Imidazole 7.675 7.090 0.586
C6H12 hex-1-ene 12.290 11.650 0.640
AsCl3 Arsenous trichloride 12.082 11.370 0.712
C4H2 Diacetylene 7.760 6.811 0.950
C10H8 naphthalene 18.556 17.400 1.156
C10H22 Decane 20.297 19.100 1.197
C6H4Cl2 1,3-dichlorobenzene 15.544 13.729 1.815
C10H8 Azulene 20.131 15.520 4.611