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Comparison of polarizabilities for HSEh1PBE/6-31G(2df,p)

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 4.254    
C16H10 Pyrene 25.962 29.720 -3.758
(CH3)3CC(CH3)3 tetramethylbutane 12.904 15.610 -2.706
CH2CHCHCH2 1,3-Butadiene 6.404 8.881 -2.477
C9H20 Nonane 15.076 17.370 -2.294
C6H15N triethylamine 11.200 13.380 -2.179
AsCl3 Arsenous trichloride 9.445 11.370 -1.926
PBr3 Phosphorus tribromide 12.479 14.380 -1.901
CSe2 Carbon diselenide 9.387 11.269 -1.882
CCl3CHO trichloroacetaldehyde 8.706 10.500 -1.794
GeCl4 Germanium Tetrachloride 10.727 12.490 -1.763
C6H12 hex-1-ene 9.913 11.650 -1.737
C3H7OC3H7 di-n-propyl ether 10.641 12.219 -1.578
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 6.882 8.401 -1.518
CH2CHCH2CH2CH3 1-pentene 8.137 9.650 -1.513
C3H7OC3H7 di-n-propyl ether 10.744 12.219 -1.476
C5H8O Cyclopentanone 7.801 9.250 -1.448
CH3CH2SH ethanethiol 5.970 7.380 -1.410
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.592 8.000 -1.408
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.156 6.499 -1.344
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.186 6.499 -1.313
C6H4Cl2 1,3-dichlorobenzene 12.449 13.729 -1.281
CH2ClCH2OH 2-Chloroethanol 5.621 6.880 -1.259
C4H10O 1-Butanol 7.326 8.570 -1.244
CH3CH2COOH Propanoic Acid 5.724 6.960 -1.236
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.840 8.049 -1.209
Cl2 Chlorine diatomic 3.405 4.610 -1.205
C3H7ONO Propyl nitrite 7.344 8.500 -1.155
C4H8O2 Ethyl acetate 7.464 8.620 -1.155
C4H2 Diacetylene 5.719 6.811 -1.092
CH2CHCH3 Propene 4.901 5.990 -1.089
C3H6 Cyclopropane 4.560 5.640 -1.080
C2H2 Acetylene 2.426 3.487 -1.061
H2S Hydrogen sulfide 2.596 3.631 -1.034
C2H4 Ethylene 3.171 4.188 -1.016
SiH4 Silane 3.784 4.777 -0.993
SeF6 Selenium hexafluoride 4.361 5.320 -0.959
C2N2 Cyanogen 4.111 5.015 -0.904
CHONH2 formamide 3.176 4.080 -0.903
CHONH2 formamide 3.176 4.080 -0.903
SO2 Sulfur dioxide 3.056 3.882 -0.826
HCl Hydrogen chloride 1.715 2.515 -0.800
CH3NH2 methyl amine 2.994 3.754 -0.760
NO2 Nitrogen dioxide 2.178 2.910 -0.733
C2H6 Ethane 3.501 4.226 -0.725
NH3 Ammonia 1.393 2.103 -0.710
CH3OH Methyl alcohol 2.507 3.210 -0.702
C2H6 Ethane 3.549 4.226 -0.677
H2CO Formaldehyde 2.102 2.770 -0.668
N2O Nitrous oxide 2.330 2.998 -0.668
HCN Hydrogen cyanide 1.935 2.593 -0.658
H2O Water 0.930 1.501 -0.571
CH4 Methane 1.963 2.448 -0.485
CH3F Methyl fluoride 2.081 2.540 -0.459
BF3 Borane, trifluoro- 1.967 2.420 -0.453
CO2 Carbon dioxide 2.057 2.507 -0.450
O2 Oxygen diatomic 1.130 1.562 -0.432
NO Nitric oxide 1.282 1.698 -0.416
H2 Hydrogen diatomic 0.376 0.787 -0.411
CO Carbon monoxide 1.547 1.953 -0.406
O2 Oxygen diatomic 1.190 1.562 -0.372
N2 Nitrogen diatomic 1.402 1.710 -0.308
CO Carbon monoxide 1.709 1.953 -0.244
HF Hydrogen fluoride 0.563 0.800 -0.237
F2 Fluorine diatomic 0.958 1.160 -0.202
H2+ Hydrogen cation 0.310 0.469 -0.160
C10H8 Azulene 16.591 15.520 1.071