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Comparison of polarizabilities for MP2/cc-pVDZ

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 3.762    
CH3CHClCH2CH3 Butane, 2-chloro- 8.051 12.499 -4.448
AsCl3 Arsenous trichloride 8.129 11.370 -3.241
PCl3 Phosphorus trichloride 7.395 10.634 -3.238
CH2ClCH2CH2CH3 Butane, 1-chloro- 8.077 11.301 -3.223
SiCl4 Silane, tetrachloro- 8.288 11.269 -2.981
CSe2 Carbon diselenide 8.304 11.269 -2.965
CCl4 Carbon tetrachloride 7.058 10.002 -2.945
BCl3 Borane, trichloro- 5.784 8.700 -2.916
CH3CCl3 Ethane, 1,1,1-trichloro- 7.395 10.120 -2.725
CHClCCl2 Trichloroethylene 7.147 9.751 -2.604
CFCl3 Trichloromonofluoromethane 5.667 8.249 -2.583
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.866 8.401 -2.534
CS2 Carbon disulfide 6.219 8.749 -2.530
CHCl3 Chloroform 5.616 8.129 -2.514
(CH3)3CC(CH3)3 tetramethylbutane 13.144 15.610 -2.466
CH2Cl2 Methylene chloride 4.250 6.659 -2.409
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 5.644 8.030 -2.386
CHClCHCl Ethene, 1,2-dichloro-, (E)- 5.818 8.150 -2.332
CH2CHCHCH2 1,3-Butadiene 6.569 8.881 -2.312
CCl2O Phosgene 4.596 6.790 -2.194
CH3CHCl2 Ethane, 1,1-dichloro- 6.012 8.161 -2.149
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.860 8.000 -2.141
C9H20 Nonane 15.259 17.370 -2.111
CH2CCl2 Ethene, 1,1-dichloro- 5.727 7.830 -2.104
CF2Cl2 difluorodichloromethane 4.293 6.370 -2.077
C6H4Cl2 1,3-dichlorobenzene 11.662 13.729 -2.067
Cl2 Chlorine diatomic 2.604 4.610 -2.006
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.999 8.000 -2.002
H2Se Hydrogen selenide 2.814 4.770 -1.956
NO2 Nitrogen dioxide 0.996 2.910 -1.915
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.638 6.499 -1.861
CH3CH2Cl Ethyl chloride 4.730 6.590 -1.860
CH3SCH3 Dimethyl sulfide 5.714 7.550 -1.836
C2H4S Thiirane 5.076 6.910 -1.834
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.672 6.499 -1.828
C6H12 hex-1-ene 9.898 11.650 -1.753
C5H12 Propane, 2,2-dimethyl- 8.488 10.240 -1.752
CH3CH2SH ethanethiol 5.630 7.380 -1.749
CH2ClCH2OH 2-Chloroethanol 5.149 6.880 -1.731
O3 Ozone 1.350 3.079 -1.729
C2H6O2S Dimethyl sulfone 6.674 8.401 -1.726
CH3CH2SH ethanethiol 5.671 7.380 -1.709
C6H5F Fluorobenzene 8.492 10.200 -1.708
CF3Cl Methane, chlorotrifluoro- 2.985 4.650 -1.665
C5H10 2-Pentene, (E)- 8.227 9.839 -1.612
C4H5N Pyrrole 6.350 7.940 -1.590
PF3 Phosphorus trifluoride 2.825 4.414 -1.589
SeF6 Selenium hexafluoride 3.750 5.320 -1.570
C5H10O 3-Pentanone 8.370 9.930 -1.559
CHOCHCHCH3 2-Butenal 6.944 8.500 -1.556
C4H4O Furan 5.690 7.230 -1.540
CH3CH(NH2)CH3 2-Propanamine 6.259 7.769 -1.510
C4H4S Thiophene 7.509 9.010 -1.501
NH2CH2CH2CH3 1-Propanamine 6.219 7.700 -1.480
H2S Hydrogen sulfide 2.174 3.631 -1.457
C5H8O Cyclopentanone 7.830 9.250 -1.420
CH3CCCH3 2-Butyne 6.062 7.480 -1.418
OCS Carbonyl sulfide 3.681 5.090 -1.409
CH3Cl Methyl chloride 3.007 4.416 -1.409
CH3CCH propyne 4.149 5.550 -1.401
Cl Chlorine atom 0.812 2.180 -1.368
Si2H6 disilane 8.046 9.410 -1.364
CH2C(CH3)CH3 1-Propene, 2-methyl- 6.526 7.880 -1.355
C5H12 Pentane 8.526 9.879 -1.353
CHOCH2CH2CH3 Butanal 6.829 8.180 -1.351
C4H2 Diacetylene 5.466 6.811 -1.345
C2H5SC2H5 Diethyl sulfide 9.220 10.549 -1.330
C5H10 Cyclopentane 7.852 9.170 -1.318
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.744 8.049 -1.305
C4H10O 2-Butanol, (.+/-.)- 7.267 8.570 -1.303
C4H8O2 Ethyl acetate 7.338 8.620 -1.282
SF6 Sulfur Hexafluoride 3.214 4.490 -1.276
C2H6O2 1,2-Ethanediol 4.436 5.710 -1.274
CH3CH2NH2 Ethylamine 4.597 5.870 -1.273
C4H10O Ethoxy ethane 7.466 8.730 -1.264
HCl Hydrogen chloride 1.254 2.515 -1.261
C2N2 Cyanogen 3.762 5.015 -1.252
CH3CHCHCH3 2-Butene, (E)- 6.633 7.880 -1.248
C4H8O Furan, tetrahydro- 6.684 7.880 -1.196
CH3COOCH3 methyl acetate 5.619 6.811 -1.192
CH2CO Ketene 3.221 4.400 -1.179
N2H4 Hydrazine 2.287 3.460 -1.173
CH3CH2CHO Propanal 5.190 6.350 -1.160
CH3COOH Acetic acid 3.990 5.149 -1.159
CH2CHCH3 Propene 4.832 5.990 -1.158
C2H2 Acetylene 2.331 3.487 -1.156
CH3CH2CH2CH3 Butane 6.875 8.020 -1.145
CH3CH(CH3)CH3 Isobutane 6.867 8.009 -1.143
Ar Argon atom 0.566 1.664 -1.098
CH3CONH2 Acetamide 4.573 5.670 -1.097
CH3OCH3 Dimethyl ether 4.066 5.160 -1.094
NF3 Nitrogen trifluoride 1.716 2.810 -1.093
C2H4 Ethylene 3.096 4.188 -1.091
CH3NO2 Methane, nitro- 3.711 4.800 -1.089
CH3CH2OH Ethanol 4.038 5.112 -1.074
CH3COCH3 Acetone 5.197 6.270 -1.073
CH3CF3 Ethane, 1,1,1-trifluoro- 3.341 4.400 -1.058
SO2 Sulfur dioxide 2.826 3.882 -1.057
CHONH2 formamide 3.027 4.080 -1.052
CHONH2 formamide 3.035 4.080 -1.044
HCOOC2H5 Ethyl formate 5.837 6.880 -1.044
CH2CCH2 allene 4.648 5.690 -1.042
CH3OCHO methyl formate 4.012 5.050 -1.038
C3H6 Cyclopropane 4.607 5.640 -1.033
CF4 Carbon tetrafluoride 1.806 2.824 -1.018
CH3CHOHCH3 Isopropyl alcohol 5.656 6.670 -1.014
C2H4O Ethylene oxide 3.461 4.431 -0.970
CHF3 Methane, trifluoro- 1.832 2.801 -0.969
SiH4 Silane 3.834 4.777 -0.944
CH2F2 Methane, difluoro- 1.857 2.761 -0.903
HCOOH Formic acid 2.430 3.319 -0.889
PH3 Phosphine 3.372 4.237 -0.864
N2O Nitrous oxide 2.139 2.998 -0.859
O2 Oxygen diatomic 0.708 1.562 -0.854
NO Nitric oxide 0.853 1.698 -0.845
SiF4 Silicon tetrafluoride 2.483 3.319 -0.836
CH3NHCH3 Dimethylamine 4.617 5.447 -0.830
CH3NH2 methyl amine 2.924 3.754 -0.830
CH3CN Acetonitrile 3.467 4.280 -0.813
H2CO Formaldehyde 1.957 2.770 -0.812
NH3 Ammonia 1.294 2.103 -0.809
C3H2N2 Malononitrile 5.029 5.790 -0.761
BF3 Borane, trifluoro- 1.660 2.420 -0.759
N(CH3)3 Trimethylamine 6.326 7.076 -0.750
H2O Water 0.773 1.501 -0.728
C3H8 Propane 5.234 5.921 -0.688
CH3CHO Acetaldehyde 3.630 4.278 -0.648
CH3F Methyl fluoride 1.902 2.540 -0.638
C2H6 Ethane 3.596 4.226 -0.631
F2 Fluorine diatomic 0.565 1.160 -0.595
CO2 Carbon dioxide 1.915 2.507 -0.592
H Hydrogen atom 0.093 0.667 -0.574
O Oxygen atom 0.269 0.802 -0.533
N2 Nitrogen diatomic 1.208 1.710 -0.502
CH4 Methane 1.952 2.448 -0.496
CO Carbon monoxide 1.465 1.953 -0.488
C5H8 Spiropentane 7.589 8.049 -0.461
HF Hydrogen fluoride 0.364 0.800 -0.436
F Fluorine atom 0.135 0.557 -0.422
H2 Hydrogen diatomic 0.437 0.787 -0.351
Ne Neon atom 0.071 0.381 -0.310
C5H12 Butane, 2-methyl- 8.468 8.770 -0.302
He Helium atom 0.045 0.208 -0.163
H2+ Hydrogen cation 0.362 0.469 -0.107
Be Beryllium atom 6.031 5.600 0.431
C10H8 Azulene 16.928 15.520 1.408