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Comparison of polarizabilities for HSEh1PBE/STO-3G

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 1.751    
C16H10 Pyrene 17.406 29.720 -12.314
C9H20 Nonane 7.414 17.370 -9.956
(CH3)3CC(CH3)3 tetramethylbutane 6.420 15.610 -9.190
PBr3 Phosphorus tribromide 5.220 14.380 -9.160
GeCl4 Germanium Tetrachloride 4.507 12.490 -7.984
C6H15N triethylamine 5.600 13.380 -7.780
CSe2 Carbon diselenide 3.917 11.269 -7.352
C6H4Cl2 1,3-dichlorobenzene 6.854 13.729 -6.875
C3H7OC3H7 di-n-propyl ether 5.368 12.219 -6.851
AsCl3 Arsenous trichloride 4.579 11.370 -6.791
C3H7OC3H7 di-n-propyl ether 5.449 12.219 -6.770
C6H12 hex-1-ene 5.008 11.650 -6.642
CCl3CHO trichloroacetaldehyde 4.112 10.500 -6.388
CH2CHCH2CH2CH3 1-pentene 4.092 9.650 -5.558
CH2CHCHCH2 1,3-Butadiene 3.474 8.881 -5.406
CH2ClCH2Cl Ethane, 1,2-dichloro- 2.769 8.000 -5.232
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 3.244 8.401 -5.157
C5H8O Cyclopentanone 4.121 9.250 -5.129
C4H10O 1-Butanol 3.681 8.570 -4.888
CH3CH2SH ethanethiol 2.572 7.380 -4.807
C10H8 Azulene 10.905 15.520 -4.615
C4H8O2 Ethyl acetate 4.029 8.620 -4.591
CH3CH(CH3)CN Propanenitrile, 2-methyl- 3.485 8.049 -4.564
C3H7ONO Propyl nitrite 3.965 8.500 -4.535
CH2ClCH2OH 2-Chloroethanol 2.637 6.880 -4.243
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 2.335 6.499 -4.164
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 2.351 6.499 -4.149
CH3CH2COOH Propanoic Acid 3.048 6.960 -3.913
C4H2 Diacetylene 3.035 6.811 -3.776
CH2CHCH3 Propene 2.452 5.990 -3.537
C3H6 Cyclopropane 2.228 5.640 -3.412
Cl2 Chlorine diatomic 1.207 4.610 -3.403
SiH4 Silane 1.462 4.777 -3.316
C2N2 Cyanogen 2.230 5.015 -2.785
H2S Hydrogen sulfide 0.858 3.631 -2.773
C2H4 Ethylene 1.542 4.188 -2.646
C2H6 Ethane 1.592 4.226 -2.634
C2H6 Ethane 1.611 4.226 -2.615
CHONH2 formamide 1.674 4.080 -2.405
C2H2 Acetylene 1.090 3.487 -2.397
CHONH2 formamide 1.696 4.080 -2.383
SO2 Sulfur dioxide 1.583 3.882 -2.299
CH3NH2 methyl amine 1.454 3.754 -2.299
SeF6 Selenium hexafluoride 3.061 5.320 -2.259
HCl Hydrogen chloride 0.424 2.515 -2.091
CH3OH Methyl alcohol 1.221 3.210 -1.989
H2CO Formaldehyde 0.950 2.770 -1.819
N2O Nitrous oxide 1.244 2.998 -1.754
NO2 Nitrogen dioxide 1.167 2.910 -1.744
HCN Hydrogen cyanide 0.899 2.593 -1.695
CH4 Methane 0.818 2.448 -1.630
CH3F Methyl fluoride 0.946 2.540 -1.594
BF3 Borane, trifluoro- 0.927 2.420 -1.493
CO2 Carbon dioxide 1.031 2.507 -1.476
NH3 Ammonia 0.652 2.103 -1.451
CO Carbon monoxide 0.691 1.953 -1.262
NO Nitric oxide 0.548 1.698 -1.150
O2 Oxygen diatomic 0.428 1.562 -1.133
O2 Oxygen diatomic 0.470 1.562 -1.092
H2O Water 0.418 1.501 -1.083
N2 Nitrogen diatomic 0.631 1.710 -1.079
CO Carbon monoxide 0.935 1.953 -1.018
F2 Fluorine diatomic 0.265 1.160 -0.895
HF Hydrogen fluoride 0.177 0.800 -0.624