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Comparison of polarizabilities for HSEh1PBE/cc-pCVTZ

Units are Å3
Change units.
species name calculated experimental difference
ClF3 Chlorine trifluoride 3.208 7.483 -4.275
ClF3 Chlorine trifluoride 3.765 7.483 -3.718
SiH3Cl chlorosilane 5.681 9.113 -3.433
CH2Cl2 Methylene chloride 5.253 6.659 -1.407
Cl2 Chlorine diatomic 3.406 4.610 -1.204
CF2Cl2 difluorodichloromethane 5.390 6.370 -0.980
CH3CH2SH ethanethiol 6.487 7.380 -0.892
CF3Cl Methane, chlorotrifluoro- 3.786 4.650 -0.864
H2S Hydrogen sulfide 2.789 3.631 -0.841
CH3CH2SH ethanethiol 6.545 7.380 -0.835
CH3Cl Methyl chloride 3.635 4.416 -0.781
SO2 Sulfur dioxide 3.112 3.882 -0.770
SO3 Sulfur trioxide 3.555 4.297 -0.742
HCl Hydrogen chloride 1.789 2.515 -0.726
C2H4 Ethylene 3.572 4.188 -0.615
CH3SH Methanethiol 4.647 5.186 -0.540
CHF3 Methane, trifluoro- 2.267 2.801 -0.534
CH2F2 Methane, difluoro- 2.227 2.761 -0.534
Si2H6 disilane 8.902 9.410 -0.508
H2CO Formaldehyde 2.278 2.770 -0.491
H2O Water 1.043 1.501 -0.458
HCN Hydrogen cyanide 2.142 2.593 -0.451
PF5 Phosphorus pentafluoride 3.222 3.650 -0.428
O2 Oxygen diatomic 1.142 1.562 -0.420
NO Nitric oxide 1.290 1.698 -0.409
BF3 Borane, trifluoro- 2.020 2.420 -0.400
CO2 Carbon dioxide 2.123 2.507 -0.384
F2 Fluorine diatomic 0.808 1.160 -0.352
SiH4 Silane 4.434 4.777 -0.344
CH3F Methyl fluoride 2.215 2.540 -0.324
CO Carbon monoxide 1.684 1.953 -0.269
N2 Nitrogen diatomic 1.445 1.710 -0.265
CaO Calcium monoxide 6.583 2.841 3.742