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Comparison of polarizabilities for HSEh1PBE/aug-cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 5.427    
CH2CHCHCH2 1,3-Butadiene 7.950 8.881 -0.931
CSe2 Carbon diselenide 10.584 11.269 -0.686
PBr3 Phosphorus tribromide 13.909 14.380 -0.471
AsCl3 Arsenous trichloride 11.000 11.370 -0.370
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.192 6.499 -0.308
Cl2 Chlorine diatomic 4.322 4.610 -0.288
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.220 6.499 -0.279
NO2 Nitrogen dioxide 2.670 2.910 -0.240
C5H8O Cyclopentanone 9.040 9.250 -0.210
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.198 8.401 -0.203
C3H6 Cyclopropane 5.439 5.640 -0.201
N2O Nitrous oxide 2.808 2.998 -0.190
H2CO Formaldehyde 2.615 2.770 -0.155
GeCl4 Germanium Tetrachloride 12.341 12.490 -0.150
O2 Oxygen diatomic 1.416 1.562 -0.145
CH3CH2COOH Propanoic Acid 6.825 6.960 -0.135
H2O Water 1.372 1.501 -0.129
HCN Hydrogen cyanide 2.492 2.593 -0.102
HCl Hydrogen chloride 2.414 2.515 -0.101
C2N2 Cyanogen 4.915 5.015 -0.099
H2S Hydrogen sulfide 3.534 3.631 -0.097
O2 Oxygen diatomic 1.468 1.562 -0.094
BF3 Borane, trifluoro- 2.342 2.420 -0.078
SO2 Sulfur dioxide 3.813 3.882 -0.070
C2H2 Acetylene 3.422 3.487 -0.065
NO Nitric oxide 1.634 1.698 -0.065
C2H4 Ethylene 4.128 4.188 -0.060
HF Hydrogen fluoride 0.747 0.800 -0.053
CH3OH Methyl alcohol 3.157 3.210 -0.053
F2 Fluorine diatomic 1.110 1.160 -0.050
CO Carbon monoxide 1.908 1.953 -0.045
CO2 Carbon dioxide 2.465 2.507 -0.042
CH3CH2SH ethanethiol 7.344 7.380 -0.035
CH2ClCH2OH 2-Chloroethanol 6.847 6.880 -0.033
H2+ Hydrogen cation 0.442 0.469 -0.027
NH3 Ammonia 2.076 2.103 -0.027
CH3F Methyl fluoride 2.521 2.540 -0.019
SeF6 Selenium hexafluoride 5.304 5.320 -0.016
CH3CH(CH3)CN Propanenitrile, 2-methyl- 8.043 8.049 -0.006
CHONH2 formamide 4.094 4.080 0.015
CHONH2 formamide 4.094 4.080 0.015
CH2ClCH2Cl Ethane, 1,2-dichloro- 8.017 8.000 0.016
H2 Hydrogen diatomic 0.810 0.787 0.023
N2 Nitrogen diatomic 1.734 1.710 0.024
C2H6 Ethane 4.289 4.226 0.062
SiH4 Silane 4.844 4.777 0.067
CH4 Methane 2.518 2.448 0.069
CH2CHCH3 Propene 6.064 5.990 0.074
C2H6 Ethane 4.305 4.226 0.078
C3H7ONO Propyl nitrite 8.580 8.500 0.080
C4H10O 1-Butanol 8.659 8.570 0.090
CH3NH2 methyl amine 3.852 3.754 0.098
C6H12 hex-1-ene 11.750 11.650 0.100
C4H8O2 Ethyl acetate 8.761 8.620 0.141
CO Carbon monoxide 2.365 1.953 0.412
C4H2 Diacetylene 7.368 6.811 0.558
C6H4Cl2 1,3-dichlorobenzene 14.640 13.729 0.911
C10H8 Azulene 19.508 15.520 3.988