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Comparison of polarizabilities for MP2=FULL/daug-cc-pVTZ

Units are Å3
Change units.
species name calculated experimental difference
N2 Nitrogen diatomic -4.337 1.710 -6.047
SiH3Cl chlorosilane 6.158 9.113 -2.956
NO2 Nitrogen dioxide 1.351 2.910 -1.560
BCl3 Borane, trichloro- 8.169 8.700 -0.531
Si2H6 disilane 8.935 9.410 -0.475
BrCN Cyanogen bromide 5.424 5.824 -0.399
AsH3 Arsine 5.125 5.468 -0.343
C2H4S Thiirane 6.579 6.910 -0.331
CH2Cl2 Methylene chloride 6.341 6.659 -0.319
C3H6 Cyclopropane 5.325 5.640 -0.315
CH3SCH3 Dimethyl sulfide 7.244 7.550 -0.306
CH2CHCHO Acrolein 6.087 6.379 -0.292
B2H6 Diborane 4.827 5.115 -0.288
CH3CCH propyne 5.274 5.550 -0.276
CH2Br2 dibromomethane 8.410 8.680 -0.270
SiH4 Silane 4.523 4.777 -0.255
CH3Br methyl bromide 5.361 5.610 -0.249
CH3OCH3 Dimethyl ether 4.912 5.160 -0.247
CH3CH2CHO Propanal 6.106 6.350 -0.244
CS2 Carbon disulfide 8.511 8.749 -0.237
C2H4O Ethylene oxide 4.200 4.431 -0.230
CH3CH2OH Ethanol 4.884 5.112 -0.229
H2Se Hydrogen selenide 4.554 4.770 -0.216
C2H5CN ethyl cyanide 6.046 6.240 -0.194
O2 Oxygen diatomic 1.383 1.562 -0.179
CH3CH2SH ethanethiol 7.204 7.380 -0.175
C2H4 Ethylene 4.015 4.188 -0.173
C6H5CHO benzaldehyde 12.630 12.800 -0.170
CH3CH2SH ethanethiol 7.212 7.380 -0.168
CH2F2 Methane, difluoro- 2.601 2.761 -0.159
H2CO Formaldehyde 2.614 2.770 -0.155
CH3COCH3 Acetone 6.143 6.270 -0.127
GeF4 Germanium tetrafluoride 3.923 4.050 -0.127
CH2CHCHO Acrolein 6.253 6.379 -0.126
HCN Hydrogen cyanide 2.474 2.593 -0.119
C2H2 Acetylene 3.373 3.487 -0.114
NO Nitric oxide 1.595 1.698 -0.104
C2H5Br Ethyl bromide 7.178 7.280 -0.102
CH3OH Methyl alcohol 3.113 3.210 -0.096
CH3SOCH3 Dimethyl sulfoxide 7.877 7.969 -0.092
HBr hydrogen bromide 3.528 3.616 -0.087
NF3 Nitrogen trifluoride 2.724 2.810 -0.085
CH3Cl Methyl chloride 4.345 4.416 -0.071
C3H7OH 1-Propanol 6.600 6.670 -0.070
CHF3 Methane, trifluoro- 2.736 2.801 -0.065
C2H6 Ethane 4.167 4.226 -0.059
Cl2 Chlorine diatomic 4.555 4.610 -0.055
CH2CO Ketene 4.345 4.400 -0.055
C4H8O2 Ethyl acetate 8.566 8.620 -0.054
H2O Water 1.449 1.501 -0.052
CF3Br Bromotrifluoromethane 5.598 5.650 -0.052
CH3F Methyl fluoride 2.488 2.540 -0.052
CF3Cl Methane, chlorotrifluoro- 4.627 4.650 -0.023
H2 Hydrogen diatomic 0.766 0.787 -0.021
N2O Nitrous oxide 2.980 2.998 -0.018
CH4 Methane 2.436 2.448 -0.012
CH3CN Acetonitrile 4.281 4.280 0.001
C3H8 Propane 5.932 5.921 0.011
NH3 Ammonia 2.115 2.103 0.012
CO Carbon monoxide 1.966 1.953 0.013
N2 Nitrogen diatomic 1.728 1.710 0.018
H2S Hydrogen sulfide 3.649 3.631 0.018
SF6 Sulfur Hexafluoride 4.509 4.490 0.019
HCOOH Formic acid 3.343 3.319 0.024
CH3NH2 methyl amine 3.785 3.754 0.032
HF Hydrogen fluoride 0.844 0.800 0.044
F2 Fluorine diatomic 1.206 1.160 0.045
HCl Hydrogen chloride 2.582 2.515 0.067
As4 Arsenic tetramer 17.364 17.293 0.071
SO2 Sulfur dioxide 3.969 3.882 0.086
HCOOH Formic acid 3.407 3.319 0.087
CF2Cl2 difluorodichloromethane 6.498 6.370 0.127
OCS Carbonyl sulfide 5.229 5.090 0.139
GeH4 Germane 4.911 4.770 0.141
Br2 Bromine diatomic 6.578 6.431 0.147
CH3CHO Acetaldehyde 4.431 4.278 0.153
CO2 Carbon dioxide 2.665 2.507 0.157
SO3 Sulfur trioxide 4.463 4.297 0.165
CHCl3 Chloroform 8.319 8.129 0.190
C6H6 Benzene 10.152 9.959 0.192
CH2CCH2 allene 5.904 5.690 0.214
PF5 Phosphorus pentafluoride 3.871 3.650 0.221
CH3SH Methanethiol 5.415 5.186 0.229
PH3 Phosphine 4.473 4.237 0.236
CCl4 Carbon tetrachloride 10.251 10.002 0.248