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Comparison of polarizabilities for HSEh1PBE/cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.359    
PBr3 Phosphorus tribromide 10.540 14.380 -3.840
C16H10 Pyrene 26.300 29.720 -3.419
CSe2 Carbon diselenide 7.958 11.269 -3.311
GeCl4 Germanium Tetrachloride 9.341 12.490 -3.150
AsCl3 Arsenous trichloride 8.305 11.370 -3.065
CCl3CHO trichloroacetaldehyde 7.791 10.500 -2.709
CH2CHCHCH2 1,3-Butadiene 6.508 8.881 -2.373
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.038 8.401 -2.362
(CH3)3CC(CH3)3 tetramethylbutane 13.395 15.610 -2.215
CH3CHBrCH3 i-propyl bromide 7.389 9.600 -2.211
HCCCl Chloroacetylene 3.890 6.070 -2.180
C10H8 naphthalene 15.377 17.400 -2.023
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.005 8.000 -1.996
Cl2 Chlorine diatomic 2.644 4.610 -1.966
H2Se Hydrogen selenide 2.905 4.770 -1.865
C6H4Cl2 1,3-dichlorobenzene 11.884 13.729 -1.845
C9H20 Nonane 15.588 17.370 -1.783
C6H15N triethylamine 11.611 13.380 -1.769
C10H22 Decane 17.333 19.100 -1.767
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.739 6.499 -1.761
BeH2 beryllium dihydride 2.580 4.340 -1.761
P Phosphorus atom 1.898 3.630 -1.732
CH3CH2CH2Br n-propyl bromide 7.351 9.070 -1.719
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.784 6.499 -1.716
C24H12 Coronene 40.804 42.499 -1.695
CH2ClCH2OH 2-Chloroethanol 5.259 6.880 -1.621
CH3CH2SH ethanethiol 5.806 7.380 -1.574
CH3CH2CH2CN Butanenitrile 6.924 8.400 -1.476
SeF6 Selenium hexafluoride 3.870 5.320 -1.449
C6H12 hex-1-ene 10.201 11.650 -1.449
H2S Hydrogen sulfide 2.232 3.631 -1.398
CHCCH2CH3 1-Butyne 6.028 7.410 -1.382
NH2CH2CH2CH3 1-Propanamine 6.344 7.700 -1.356
C3H4N2 1H-Imidazole 5.734 7.090 -1.356
C5H8O Cyclopentanone 7.901 9.250 -1.348
CH3CH2COOH Propanoic Acid 5.638 6.960 -1.322
O3 Ozone 1.768 3.079 -1.311
C3H7OC3H7 di-n-propyl ether 10.918 12.219 -1.301
CH2CHCH2CH2CH3 1-pentene 8.374 9.650 -1.275
C3H7ONO Propyl nitrite 7.259 8.500 -1.240
HCl Hydrogen chloride 1.287 2.515 -1.228
C3H7OC3H7 di-n-propyl ether 11.021 12.219 -1.198
C4H8O2 Ethyl acetate 7.431 8.620 -1.189
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.874 8.049 -1.175
SO2 Sulfur dioxide 2.723 3.882 -1.160
N2H4 Hydrazine 2.314 3.460 -1.146
C2N2 Cyanogen 3.882 5.015 -1.133
C4H10O 1-Butanol 7.451 8.570 -1.118
C2H2 Acetylene 2.393 3.487 -1.093
C4H2 Diacetylene 5.748 6.811 -1.063
NO2 Nitrogen dioxide 1.856 2.910 -1.055
CHONH2 formamide 3.031 4.080 -1.049
CHONH2 formamide 3.031 4.080 -1.049
CH2CHCH3 Propene 5.000 5.990 -0.990
C2H4 Ethylene 3.198 4.188 -0.990
C3H6 Cyclopropane 4.653 5.640 -0.987
N2O Nitrous oxide 2.037 2.998 -0.961
NH3 Ammonia 1.312 2.103 -0.791
CH3OH Methyl alcohol 2.421 3.210 -0.788
CH3NH2 methyl amine 2.972 3.754 -0.781
H2CO Formaldehyde 1.995 2.770 -0.774
HCN Hydrogen cyanide 1.835 2.593 -0.758
PH3 Phosphine 3.483 4.237 -0.753
BF3 Borane, trifluoro- 1.677 2.420 -0.742
SiH4 Silane 4.045 4.777 -0.733
O2 Oxygen diatomic 0.843 1.562 -0.719
H2O Water 0.786 1.501 -0.715
CO2 Carbon dioxide 1.801 2.507 -0.707
C2H6 Ethane 3.578 4.226 -0.649
NO Nitric oxide 1.053 1.698 -0.645
O2 Oxygen diatomic 0.918 1.562 -0.644
CH3F Methyl fluoride 1.934 2.540 -0.606
C3H8 Propane 5.324 5.921 -0.597
C2H6 Ethane 3.646 4.226 -0.581
F2 Fluorine diatomic 0.618 1.160 -0.542
CO Carbon monoxide 1.437 1.953 -0.516
N2 Nitrogen diatomic 1.223 1.710 -0.487
CH4 Methane 1.976 2.448 -0.472
HF Hydrogen fluoride 0.372 0.800 -0.429
CO Carbon monoxide 1.577 1.953 -0.376
H2 Hydrogen diatomic 0.451 0.787 -0.336
H2+ Hydrogen cation 0.341 0.469 -0.129
C10H8 Azulene 16.829 15.520 1.309