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

Units are Å3
Change units.
species name calculated experimental difference
C4H8O2 Butanoic acid 8.546    
NO2 Nitrogen dioxide 1.324 2.910 -1.586
BeH2 beryllium dihydride 2.852 4.340 -1.488
O3 Ozone 2.309 3.079 -0.770
HCCCl Chloroacetylene 5.402 6.070 -0.667
C2H3Br vinyl bromide 6.989 7.590 -0.601
PBr3 Phosphorus tribromide 13.783 14.380 -0.597
PF3 Phosphorus trifluoride 3.842 4.414 -0.572
CH3CH2CH2CN Butanenitrile 7.851 8.400 -0.549
CH3CH2Cl Ethyl chloride 6.108 6.590 -0.482
CHBr3 bromoform 11.365 11.840 -0.475
CH2CHCl Ethene, chloro- 5.951 6.410 -0.459
AsCl3 Arsenous trichloride 10.934 11.370 -0.436
CH3CH(NH2)CH3 2-Propanamine 7.337 7.769 -0.432
PCl3 Phosphorus trichloride 10.201 10.634 -0.432
C5H8O Cyclopentanone 8.839 9.250 -0.411
GeCl4 Germanium Tetrachloride 12.091 12.490 -0.399
NH2CH2CH2CH3 1-Propanamine 7.318 7.700 -0.381
CH2Cl2 Methylene chloride 6.278 6.659 -0.381
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.127 6.499 -0.373
C2H4S Thiirane 6.543 6.910 -0.367
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 6.138 6.499 -0.361
CH3SCH3 Dimethyl sulfide 7.216 7.550 -0.334
CHCCH2CH3 1-Butyne 7.081 7.410 -0.328
C3H6 Cyclopropane 5.314 5.640 -0.326
CH2Br2 dibromomethane 8.356 8.680 -0.324
CH3CH(CH3)CH3 Isobutane 7.701 8.009 -0.308
CH3CH2NH2 Ethylamine 5.569 5.870 -0.301
CH3CCH propyne 5.256 5.550 -0.294
CH3Br methyl bromide 5.326 5.610 -0.284
SeF6 Selenium hexafluoride 5.041 5.320 -0.278
CS2 Carbon disulfide 8.478 8.749 -0.271
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 8.131 8.401 -0.270
CH3OCH3 Dimethyl ether 4.900 5.160 -0.260
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.792 8.049 -0.258
CH3CH2CHO Propanal 6.093 6.350 -0.257
CH2C(CH3)CH3 1-Propene, 2-methyl- 7.626 7.880 -0.254
H2Se Hydrogen selenide 4.518 4.770 -0.252
CH3CH2COOH Propanoic Acid 6.712 6.960 -0.249
C2H4O Ethylene oxide 4.186 4.431 -0.244
SiH4 Silane 4.533 4.777 -0.244
CH3CH2OH Ethanol 4.874 5.112 -0.238
CHFCl2 fluorodichloromethane 6.385 6.611 -0.226
C2N2 Cyanogen 4.790 5.015 -0.225
O2 Oxygen diatomic 1.357 1.562 -0.205
CH3CH2SH ethanethiol 7.177 7.380 -0.202
CH3CH2SH ethanethiol 7.190 7.380 -0.190
C2H4 Ethylene 4.000 4.188 -0.188
CH2F2 Methane, difluoro- 2.580 2.761 -0.181
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 7.854 8.030 -0.176
H2CO Formaldehyde 2.594 2.770 -0.176
O2 Oxygen diatomic 1.388 1.562 -0.174
O2 Oxygen diatomic 1.388 1.562 -0.174
CH2CHCH3 Propene 5.820 5.990 -0.169
C4H10O 1-Butanol 8.402 8.570 -0.168
CSe2 Carbon diselenide 11.109 11.269 -0.160
CCl2O Phosgene 6.635 6.790 -0.154
GeF4 Germanium tetrafluoride 3.902 4.050 -0.147
CH2CHCHO Acrolein 6.235 6.379 -0.144
CH3COOH Acetic acid 5.015 5.149 -0.135
HBr hydrogen bromide 3.482 3.616 -0.134
NO Nitric oxide 1.565 1.698 -0.133
C2H2 Acetylene 3.354 3.487 -0.133
C2H5Br Ethyl bromide 7.151 7.280 -0.129
HCN Hydrogen cyanide 2.465 2.593 -0.128
Cl2 Chlorine diatomic 4.485 4.610 -0.125
NF3 Nitrogen trifluoride 2.687 2.810 -0.123
CH3Cl Methyl chloride 4.302 4.416 -0.114
CH3SOCH3 Dimethyl sulfoxide 7.861 7.969 -0.109
CH3OH Methyl alcohol 3.102 3.210 -0.108
CH3CHCl2 Ethane, 1,1-dichloro- 8.065 8.161 -0.096
CH2ClCH2OH 2-Chloroethanol 6.785 6.880 -0.095
CH2FCl fluorochloromethane 4.416 4.509 -0.093
CHF3 Methane, trifluoro- 2.708 2.801 -0.092
CH2CO Ketene 4.315 4.400 -0.084
H2O Water 1.417 1.501 -0.084
C2H6 Ethane 4.150 4.226 -0.076
N2H4 Hydrazine 3.386 3.460 -0.074
C4H8O2 Ethyl acetate 8.552 8.620 -0.068
CH3F Methyl fluoride 2.472 2.540 -0.067
C2H6 Ethane 4.164 4.226 -0.063
C3H7OH 1-Propanol 6.618 6.670 -0.052
CH3OCHO methyl formate 5.005 5.050 -0.045
CH2ClCH2Cl Ethane, 1,2-dichloro- 7.959 8.000 -0.042
N2O Nitrous oxide 2.958 2.998 -0.040
CH3CHOHCH3 Isopropyl alcohol 6.632 6.670 -0.037
H2S Hydrogen sulfide 3.603 3.631 -0.027
H2 Hydrogen diatomic 0.768 0.787 -0.019
CH4 Methane 2.433 2.448 -0.015
NH3 Ammonia 2.093 2.103 -0.010
CH3NO2 Methane, nitro- 4.792 4.800 -0.007
CH3CN Acetonitrile 4.273 4.280 -0.007
F2 Fluorine diatomic 1.157 1.160 -0.003
HCOOH Formic acid 3.317 3.319 -0.002
HF Hydrogen fluoride 0.803 0.800 0.003
CO Carbon monoxide 1.959 1.953 0.006
C3H8 Propane 5.927 5.921 0.006
N2 Nitrogen diatomic 1.722 1.710 0.012
HCl Hydrogen chloride 2.527 2.515 0.012
CH3NH2 methyl amine 3.775 3.754 0.021
SO2 Sulfur dioxide 3.923 3.882 0.041
CHONH2 formamide 4.131 4.080 0.052
CHONH2 formamide 4.131 4.080 0.052
CH2CCl2 Ethene, 1,1-dichloro- 7.893 7.830 0.063
CF2Cl2 difluorodichloromethane 6.449 6.370 0.079
C3H4N2 1H-Imidazole 7.182 7.090 0.092
OCS Carbonyl sulfide 5.206 5.090 0.116
CHCl3 Chloroform 8.247 8.129 0.118
CH3NHCH3 Dimethylamine 5.574 5.447 0.126
CO2 Carbon dioxide 2.638 2.507 0.131
FCN Cyanogen fluoride 2.682 2.550 0.132
C10H8 naphthalene 17.533 17.400 0.133
CH3CHO Acetaldehyde 4.416 4.278 0.138
CO Carbon monoxide 2.098 1.953 0.145
CH3CONH2 Acetamide 5.817 5.670 0.147
CCl4 Carbon tetrachloride 10.170 10.002 0.167
PH3 Phosphine 4.459 4.237 0.223
C4H2 Diacetylene 7.068 6.811 0.258
N(CH3)3 Trimethylamine 7.454 7.076 0.378
H2+ Hydrogen cation 1.122 0.469 0.653
C6H4Cl2 1,3-dichlorobenzene 14.496 13.729 0.767
MgO magnesium oxide 4.435 1.750 2.685
C10H8 Azulene 19.397 15.520 3.877