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Comparison of polarizabilities for BLYP/aug-cc-pVTZ

Units are Å3
Change units.
species name calculated experimental difference
H2+ Hydrogen cation 0.455 0.469 -0.014
NO2 Nitrogen dioxide 2.905 2.910 -0.006
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
C2H2 Acetylene 3.606 3.487 0.119
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
CH2CHCH3 Propene 6.305 5.990 0.315
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
CH2ClCH2OH 2-Chloroethanol 7.415 6.880 0.534
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.984 8.401 0.584
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
C6H4Cl2 1,3-dichlorobenzene 15.544 13.729 1.815
C10H8 Azulene 20.131 15.520 4.611