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Comparison of polarizabilities for HSEh1PBE/daug-cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
SiH3Cl chlorosilane 6.467 9.113 -2.646
CS2 Carbon disulfide 8.210 8.749 -0.539
N2O4 Dinitrogen tetroxide 6.041 6.495 -0.454
BCl3 Borane, trichloro- 8.253 8.700 -0.447
BrCN Cyanogen bromide 5.536 5.824 -0.288
C2H4S Thiirane 6.697 6.910 -0.212
CH2Cl2 Methylene chloride 6.451 6.659 -0.209
C3H6 Cyclopropane 5.464 5.640 -0.176
C2H4O Ethylene oxide 4.288 4.431 -0.143
NO2 Nitrogen dioxide 2.771 2.910 -0.140
N2O Nitrous oxide 2.882 2.998 -0.116
CH3SCH3 Dimethyl sulfide 7.441 7.550 -0.109
CH3Br methyl bromide 5.514 5.610 -0.096
AsH3 Arsine 5.377 5.468 -0.091
CH2CO Ketene 4.309 4.400 -0.090
H2CO Formaldehyde 2.683 2.770 -0.087
CH2F2 Methane, difluoro- 2.684 2.761 -0.077
CH2CHCHO Acrolein 6.305 6.379 -0.075
CH3CH2OH Ethanol 5.041 5.112 -0.072
CH3OCH3 Dimethyl ether 5.103 5.160 -0.057
H2Se Hydrogen selenide 4.716 4.770 -0.054
HCN Hydrogen cyanide 2.542 2.593 -0.052
H2O Water 1.457 1.501 -0.044
CH3CH2CHO Propanal 6.313 6.350 -0.037
NF3 Nitrogen trifluoride 2.775 2.810 -0.035
Cl2 Chlorine diatomic 4.586 4.610 -0.024
OCS Carbonyl sulfide 5.071 5.090 -0.019
CH3CCH propyne 5.533 5.550 -0.017
B2H6 Diborane 5.103 5.115 -0.012
C2H4 Ethylene 4.176 4.188 -0.011
CO Carbon monoxide 1.945 1.953 -0.008
CH3OH Methyl alcohol 3.204 3.210 -0.006
CH2Br2 dibromomethane 8.675 8.680 -0.005
HBr hydrogen bromide 3.612 3.616 -0.004
CHF3 Methane, trifluoro- 2.809 2.801 0.008
O2 Oxygen diatomic 1.572 1.562 0.010
CH3Cl Methyl chloride 4.432 4.416 0.016
C2H5CN ethyl cyanide 6.262 6.240 0.022
C2H2 Acetylene 3.514 3.487 0.027
C4H4O Furan 7.257 7.230 0.027
NO Nitric oxide 1.731 1.698 0.033
CH3F Methyl fluoride 2.577 2.540 0.037
HCOOH Formic acid 3.358 3.319 0.039
CH3CH2SH ethanethiol 7.422 7.380 0.043
H2 Hydrogen diatomic 0.832 0.787 0.045
SO2 Sulfur dioxide 3.927 3.882 0.045
CO2 Carbon dioxide 2.552 2.507 0.045
HF Hydrogen fluoride 0.848 0.800 0.048
NH3 Ammonia 2.157 2.103 0.054
N2 Nitrogen diatomic 1.767 1.710 0.057
CH3CH2SH ethanethiol 7.440 7.380 0.061
CH3COCH3 Acetone 6.336 6.270 0.066
CF3Cl Methane, chlorotrifluoro- 4.717 4.650 0.067
SiH4 Silane 4.858 4.777 0.081
F2 Fluorine diatomic 1.247 1.160 0.087
CH4 Methane 2.539 2.448 0.091
C6H5CHO benzaldehyde 12.898 12.800 0.098
C2H6 Ethane 4.325 4.226 0.099
GeF4 Germanium tetrafluoride 4.151 4.050 0.101
H2S Hydrogen sulfide 3.733 3.631 0.103
CH2CHCH3 Propene 6.093 5.990 0.103
HCl Hydrogen chloride 2.618 2.515 0.104
Si2H6 disilane 9.515 9.410 0.105
CH2CHCHO Acrolein 6.488 6.379 0.109
CF3Br Bromotrifluoromethane 5.765 5.650 0.115
HCOOH Formic acid 3.436 3.319 0.117
CH3NH2 methyl amine 3.899 3.754 0.146
C3H7OH 1-Propanol 6.818 6.670 0.149
CH3SOCH3 Dimethyl sulfoxide 8.125 7.969 0.156
CH3CN Acetonitrile 4.436 4.280 0.156
C2H5Br Ethyl bromide 7.445 7.280 0.165
SO3 Sulfur trioxide 4.469 4.297 0.171
C4H8O2 Ethyl acetate 8.793 8.620 0.173
As4 Arsenic tetramer 17.480 17.293 0.187
C3H8 Propane 6.156 5.921 0.234
CF2Cl2 difluorodichloromethane 6.610 6.370 0.240
Br2 Bromine diatomic 6.694 6.431 0.263
CH3CHO Acetaldehyde 4.579 4.278 0.301
SF6 Sulfur Hexafluoride 4.819 4.490 0.329
CHCl3 Chloroform 8.465 8.129 0.336
C6H6 Benzene 10.306 9.959 0.346
CH3SH Methanethiol 5.548 5.186 0.361
PH3 Phosphine 4.649 4.237 0.413
CCl4 Carbon tetrachloride 10.417 10.002 0.414
CH2CCH2 allene 6.148 5.690 0.458
PF5 Phosphorus pentafluoride 4.127 3.650 0.477
GeH4 Germane 5.298 4.770 0.528
N2 Nitrogen diatomic 3.019 1.710 1.309