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Comparison of polarizabilities for HSEh1PBE/6-31G

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 6.921    
C16H10 Pyrene 24.642 29.720 -5.078
PBr3 Phosphorus tribromide 10.269 14.380 -4.111
C24H12 Coronene 38.416 42.499 -4.083
CSe2 Carbon diselenide 7.233 11.269 -4.036
(CH3)3CC(CH3)3 tetramethylbutane 12.338 15.610 -3.272
GeCl4 Germanium Tetrachloride 9.278 12.490 -3.212
C10H8 naphthalene 14.252 17.400 -3.148
C10H22 Decane 15.998 19.100 -3.102
CH3CHBrCH3 i-propyl bromide 6.565 9.600 -3.035
C9H20 Nonane 14.388 17.370 -2.982
CH2CHCHCH2 1,3-Butadiene 5.948 8.881 -2.933
CCl3CHO trichloroacetaldehyde 7.568 10.500 -2.932
AsCl3 Arsenous trichloride 8.578 11.370 -2.792
C6H4Cl2 1,3-dichlorobenzene 11.000 13.729 -2.729
HCCCl Chloroacetylene 3.385 6.070 -2.684
C6H15N triethylamine 10.698 13.380 -2.682
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.738 8.401 -2.663
CH3CH2CH2Br n-propyl bromide 6.529 9.070 -2.541
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.606 8.000 -2.395
H2Se Hydrogen selenide 2.414 4.770 -2.356
C6H12 hex-1-ene 9.390 11.650 -2.260
BeH2 beryllium dihydride 2.244 4.340 -2.096
Cl2 Chlorine diatomic 2.543 4.610 -2.067
C3H7OC3H7 di-n-propyl ether 10.154 12.219 -2.065
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.438 6.499 -2.061
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.455 6.499 -2.044
CH2ClCH2OH 2-Chloroethanol 4.918 6.880 -1.962
C3H7OC3H7 di-n-propyl ether 10.259 12.219 -1.960
CH2CHCH2CH2CH3 1-pentene 7.696 9.650 -1.954
CHCCH2CH3 1-Butyne 5.471 7.410 -1.939
P Phosphorus atom 1.726 3.630 -1.904
CH3CH2CH2CN Butanenitrile 6.497 8.400 -1.903
NH2CH2CH2CH3 1-Propanamine 5.800 7.700 -1.899
CH3CH2SH ethanethiol 5.514 7.380 -1.865
C5H8O Cyclopentanone 7.414 9.250 -1.836
C3H4N2 1H-Imidazole 5.316 7.090 -1.774
C4H2 Diacetylene 5.071 6.811 -1.740
C4H10O 1-Butanol 6.913 8.570 -1.657
CH3CH2COOH Propanoic Acid 5.311 6.960 -1.649
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.446 8.049 -1.603
C4H8O2 Ethyl acetate 7.026 8.620 -1.594
H2S Hydrogen sulfide 2.084 3.631 -1.546
HCl Hydrogen chloride 1.010 2.515 -1.505
C3H7ONO Propyl nitrite 7.000 8.500 -1.500
N2H4 Hydrazine 1.971 3.460 -1.489
C2H2 Acetylene 2.051 3.487 -1.436
CH2CHCH3 Propene 4.569 5.990 -1.421
SiH4 Silane 3.441 4.777 -1.337
C3H6 Cyclopropane 4.310 5.640 -1.330
C2H4 Ethylene 2.882 4.188 -1.306
CHONH2 formamide 2.804 4.080 -1.275
CHONH2 formamide 2.804 4.080 -1.275
C2N2 Cyanogen 3.762 5.015 -1.253
O3 Ozone 1.841 3.079 -1.238
SeF6 Selenium hexafluoride 4.153 5.320 -1.167
NH3 Ammonia 0.969 2.103 -1.134
PH3 Phosphine 3.114 4.237 -1.122
CH3NH2 methyl amine 2.666 3.754 -1.087
NO2 Nitrogen dioxide 1.876 2.910 -1.034
C3H8 Propane 4.900 5.921 -1.021
CH3OH Methyl alcohol 2.239 3.210 -0.970
C2H6 Ethane 3.271 4.226 -0.955
N2O Nitrous oxide 2.047 2.998 -0.951
BF3 Borane, trifluoro- 1.477 2.420 -0.943
H2CO Formaldehyde 1.852 2.770 -0.918
HCN Hydrogen cyanide 1.687 2.593 -0.906
C2H6 Ethane 3.353 4.226 -0.873
H2O Water 0.655 1.501 -0.846
SO2 Sulfur dioxide 3.101 3.882 -0.781
CH3F Methyl fluoride 1.775 2.540 -0.765
O2 Oxygen diatomic 0.828 1.562 -0.734
CO2 Carbon dioxide 1.781 2.507 -0.726
NO Nitric oxide 1.040 1.698 -0.659
CH4 Methane 1.797 2.448 -0.651
O2 Oxygen diatomic 0.923 1.562 -0.638
CO Carbon monoxide 1.378 1.953 -0.575
F2 Fluorine diatomic 0.596 1.160 -0.565
HF Hydrogen fluoride 0.284 0.800 -0.517
N2 Nitrogen diatomic 1.202 1.710 -0.508
CO Carbon monoxide 1.585 1.953 -0.368
C10H8 Azulene 15.731 15.520 0.211