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Comparison of polarizabilities for SVWN/cc-pVTZ

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 4.768    
CSe2 Carbon diselenide 9.251 11.269 -2.018
PBr3 Phosphorus tribromide 12.437 14.380 -1.943
CH2CHCHCH2 1,3-Butadiene 7.272 8.881 -1.609
AsCl3 Arsenous trichloride 9.773 11.370 -1.597
C16H10 Pyrene 28.372 29.720 -1.348
Cl2 Chlorine diatomic 3.360 4.610 -1.250
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 7.310 8.401 -1.091
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.628 6.499 -0.871
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.678 6.499 -0.821
CH2ClCH2Cl Ethane, 1,2-dichloro- 7.188 8.000 -0.813
H2S Hydrogen sulfide 2.842 3.631 -0.788
(CH3)3CC(CH3)3 tetramethylbutane 14.889 15.610 -0.720
HCl Hydrogen chloride 1.795 2.515 -0.720
NO2 Nitrogen dioxide 2.206 2.910 -0.704
SeF6 Selenium hexafluoride 4.616 5.320 -0.704
SO2 Sulfur dioxide 3.220 3.882 -0.663
CH2ClCH2OH 2-Chloroethanol 6.240 6.880 -0.640
CH3CH2SH ethanethiol 6.778 7.380 -0.601
N2O Nitrous oxide 2.411 2.998 -0.587
C2H2 Acetylene 2.906 3.487 -0.580
C2H4 Ethylene 3.651 4.188 -0.536
C2N2 Cyanogen 4.494 5.015 -0.520
O2 Oxygen diatomic 1.113 1.562 -0.449
C5H8O Cyclopentanone 8.821 9.250 -0.429
C3H6 Cyclopropane 5.216 5.640 -0.424
CH3CH2COOH Propanoic Acid 6.540 6.960 -0.420
NH3 Ammonia 1.683 2.103 -0.419
H2O Water 1.085 1.501 -0.416
HCN Hydrogen cyanide 2.184 2.593 -0.409
CHONH2 formamide 3.690 4.080 -0.389
CHONH2 formamide 3.691 4.080 -0.389
F2 Fluorine diatomic 0.775 1.160 -0.385
H2CO Formaldehyde 2.386 2.770 -0.383
CH2CHCH3 Propene 5.661 5.990 -0.328
CO2 Carbon dioxide 2.183 2.507 -0.324
CH3OH Methyl alcohol 2.895 3.210 -0.315
BF3 Borane, trifluoro- 2.122 2.420 -0.298
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.757 8.049 -0.292
N2 Nitrogen diatomic 1.458 1.710 -0.252
HF Hydrogen fluoride 0.552 0.800 -0.248
CH3NH2 methyl amine 3.514 3.754 -0.240
C6H12 hex-1-ene 11.424 11.650 -0.226
CO Carbon monoxide 1.728 1.953 -0.225
CH3F Methyl fluoride 2.318 2.540 -0.222
C6H15N triethylamine 13.212 13.380 -0.168
C3H7ONO Propyl nitrite 8.332 8.500 -0.167
C6H4Cl2 1,3-dichlorobenzene 13.565 13.729 -0.164
H2 Hydrogen diatomic 0.638 0.787 -0.149
C4H2 Diacetylene 6.688 6.811 -0.123
CH4 Methane 2.345 2.448 -0.103
C2H6 Ethane 4.125 4.226 -0.101
C4H8O2 Ethyl acetate 8.529 8.620 -0.091
C4H10O 1-Butanol 8.484 8.570 -0.085
SiH4 Silane 4.701 4.777 -0.076
C2H6 Ethane 4.178 4.226 -0.048
H2+ Hydrogen cation 0.437 0.469 -0.032
C9H20 Nonane 17.421 17.370 0.051
C3H7OC3H7 di-n-propyl ether 12.365 12.219 0.146
C3H7OC3H7 di-n-propyl ether 12.483 12.219 0.264
C10H8 Azulene 18.113 15.520 2.593