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Comparison of polarizabilities for HSEh1PBE/6-31G**

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 7.116    
C16H10 Pyrene 25.227 29.720 -4.493
PBr3 Phosphorus tribromide 11.012 14.380 -3.367
C24H12 Coronene 39.285 42.499 -3.214
GeCl4 Germanium Tetrachloride 9.530 12.490 -2.961
(CH3)3CC(CH3)3 tetramethylbutane 12.654 15.610 -2.956
CSe2 Carbon diselenide 8.326 11.269 -2.943
AsCl3 Arsenous trichloride 8.502 11.370 -2.868
CH2CHCHCH2 1,3-Butadiene 6.133 8.881 -2.747
C10H8 naphthalene 14.664 17.400 -2.736
CCl3CHO trichloroacetaldehyde 7.792 10.500 -2.708
C10H22 Decane 16.463 19.100 -2.636
C9H20 Nonane 14.804 17.370 -2.566
C6H15N triethylamine 10.957 13.380 -2.423
HCCCl Chloroacetylene 3.722 6.070 -2.347
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.088 8.401 -2.313
CH3CHBrCH3 i-propyl bromide 7.326 9.600 -2.274
C6H4Cl2 1,3-dichlorobenzene 11.515 13.729 -2.214
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.909 8.000 -2.091
BeH2 beryllium dihydride 2.312 4.340 -2.029
C6H12 hex-1-ene 9.661 11.650 -1.989
Cl2 Chlorine diatomic 2.673 4.610 -1.937
C3H7OC3H7 di-n-propyl ether 10.396 12.219 -1.823
P Phosphorus atom 1.820 3.630 -1.810
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.693 6.499 -1.806
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.728 6.499 -1.772
CH3CH2SH ethanethiol 5.623 7.380 -1.756
CH3CH2CH2Br n-propyl bromide 7.333 9.070 -1.737
CH2CHCH2CH2CH3 1-pentene 7.915 9.650 -1.735
CHCCH2CH3 1-Butyne 5.682 7.410 -1.728
CH2ClCH2OH 2-Chloroethanol 5.153 6.880 -1.727
CH3CH2CH2CN Butanenitrile 6.675 8.400 -1.725
C3H7OC3H7 di-n-propyl ether 10.495 12.219 -1.725
H2Se Hydrogen selenide 3.060 4.770 -1.710
NH2CH2CH2CH3 1-Propanamine 6.046 7.700 -1.654
C5H8O Cyclopentanone 7.597 9.250 -1.652
C3H4N2 1H-Imidazole 5.501 7.090 -1.589
C4H2 Diacetylene 5.310 6.811 -1.500
CH3CH2COOH Propanoic Acid 5.475 6.960 -1.486
C4H10O 1-Butanol 7.121 8.570 -1.448
H2S Hydrogen sulfide 2.199 3.631 -1.432
C4H8O2 Ethyl acetate 7.190 8.620 -1.429
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.622 8.049 -1.427
C3H7ONO Propyl nitrite 7.090 8.500 -1.409
SiH4 Silane 3.416 4.777 -1.362
C2H2 Acetylene 2.185 3.487 -1.302
CH2CHCH3 Propene 4.721 5.990 -1.268
SeF6 Selenium hexafluoride 4.058 5.320 -1.262
HCl Hydrogen chloride 1.272 2.515 -1.243
C3H6 Cyclopropane 4.440 5.640 -1.200
N2H4 Hydrazine 2.263 3.460 -1.197
C2H4 Ethylene 2.998 4.188 -1.189
C2N2 Cyanogen 3.858 5.015 -1.157
O3 Ozone 1.931 3.079 -1.148
PH3 Phosphine 3.106 4.237 -1.130
CHONH2 formamide 2.953 4.080 -1.126
CHONH2 formamide 2.954 4.080 -1.126
SO2 Sulfur dioxide 2.854 3.882 -1.028
NO2 Nitrogen dioxide 1.975 2.910 -0.936
CH3NH2 methyl amine 2.866 3.754 -0.888
C3H8 Propane 5.045 5.921 -0.876
N2O Nitrous oxide 2.122 2.998 -0.876
NH3 Ammonia 1.252 2.103 -0.851
CH3OH Methyl alcohol 2.362 3.210 -0.848
HCN Hydrogen cyanide 1.759 2.593 -0.834
C2H6 Ethane 3.395 4.226 -0.831
H2CO Formaldehyde 1.964 2.770 -0.806
C2H6 Ethane 3.468 4.226 -0.759
BF3 Borane, trifluoro- 1.676 2.420 -0.744
H2O Water 0.779 1.501 -0.722
CO2 Carbon dioxide 1.844 2.507 -0.663
CH3F Methyl fluoride 1.934 2.540 -0.605
O2 Oxygen diatomic 0.965 1.562 -0.597
NO Nitric oxide 1.127 1.698 -0.571
CH4 Methane 1.884 2.448 -0.564
CO Carbon monoxide 1.416 1.953 -0.537
O2 Oxygen diatomic 1.035 1.562 -0.527
N2 Nitrogen diatomic 1.269 1.710 -0.441
H2 Hydrogen diatomic 0.376 0.787 -0.411
CO Carbon monoxide 1.548 1.953 -0.405
F2 Fluorine diatomic 0.776 1.160 -0.384
HF Hydrogen fluoride 0.424 0.800 -0.376
H2+ Hydrogen cation 0.310 0.469 -0.160
C10H8 Azulene 16.085 15.520 0.565