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Comparison of polarizabilities for SVWN/aug-cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 5.583    
CSe2 Carbon diselenide 10.473 11.269 -0.797
CH2CHCHCH2 1,3-Butadiene 8.201 8.881 -0.680
Cl2 Chlorine diatomic 4.366 4.610 -0.244
PBr3 Phosphorus tribromide 14.162 14.380 -0.218
NO2 Nitrogen dioxide 2.738 2.910 -0.172
AsCl3 Arsenous trichloride 11.251 11.370 -0.120
N2O Nitrous oxide 2.885 2.998 -0.113
O2 Oxygen diatomic 1.480 1.562 -0.082
F2 Fluorine diatomic 1.113 1.160 -0.047
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.460 6.499 -0.040
HCN Hydrogen cyanide 2.564 2.593 -0.029
HCl Hydrogen chloride 2.490 2.515 -0.024
H2O Water 1.481 1.501 -0.020
H2CO Formaldehyde 2.765 2.770 -0.005
HF Hydrogen fluoride 0.801 0.800 0.001
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.509 6.499 0.010
H2+ Hydrogen cation 0.483 0.469 0.013
C2H2 Acetylene 3.503 3.487 0.016
H2S Hydrogen sulfide 3.659 3.631 0.029
CO Carbon monoxide 1.983 1.953 0.030
C3H6 Cyclopropane 5.672 5.640 0.032
CO2 Carbon dioxide 2.551 2.507 0.043
C2H4 Ethylene 4.250 4.188 0.062
BF3 Borane, trifluoro- 2.488 2.420 0.068
SO2 Sulfur dioxide 3.952 3.882 0.070
C2N2 Cyanogen 5.088 5.015 0.074
N2 Nitrogen diatomic 1.790 1.710 0.080
H2 Hydrogen diatomic 0.884 0.787 0.096
NH3 Ammonia 2.227 2.103 0.125
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.531 8.401 0.130
CH3F Methyl fluoride 2.670 2.540 0.131
CH3OH Methyl alcohol 3.358 3.210 0.148
CH4 Methane 2.667 2.448 0.219
C5H8O Cyclopentanone 9.506 9.250 0.256
CH3CH2COOH Propanoic Acid 7.220 6.960 0.260
SeF6 Selenium hexafluoride 5.606 5.320 0.286
CH2ClCH2OH 2-Chloroethanol 7.167 6.880 0.287
C2H6 Ethane 4.517 4.226 0.291
CH3CH2SH ethanethiol 7.683 7.380 0.304
CHONH2 formamide 4.389 4.080 0.309
CHONH2 formamide 4.389 4.080 0.309
C2H6 Ethane 4.537 4.226 0.311
CH2ClCH2Cl Ethane, 1,2-dichloro- 8.328 8.000 0.327
CH2CHCH3 Propene 6.323 5.990 0.334
CH3NH2 methyl amine 4.097 3.754 0.343
CH3CH(CH3)CN Propanenitrile, 2-methyl- 8.424 8.049 0.375
SiH4 Silane 5.170 4.777 0.393
C3H7ONO Propyl nitrite 9.092 8.500 0.593
C4H10O 1-Butanol 9.174 8.570 0.605
C4H8O2 Ethyl acetate 9.257 8.620 0.637
C6H12 hex-1-ene 12.321 11.650 0.671
C4H2 Diacetylene 7.635 6.811 0.824
C6H4Cl2 1,3-dichlorobenzene 15.082 13.729 1.353
C10H8 Azulene 19.797 15.520 4.277