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Comparison of polarizabilities for MP2=FULL/6-31+G**

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 4.294    
(CH3)3CC(CH3)3 tetramethylbutane 13.556 15.610 -2.053
AsCl3 Arsenous trichloride 9.417 11.370 -1.953
C9H20 Nonane 15.423 17.370 -1.947
CSe2 Carbon diselenide 9.705 11.269 -1.565
Cl2 Chlorine diatomic 3.096 4.610 -1.514
CCl4 Carbon tetrachloride 8.502 10.002 -1.501
H2Se Hydrogen selenide 3.374 4.770 -1.396
CH2ClCH2Cl Ethane, 1,2-dichloro- 6.641 8.000 -1.360
SiH4 Silane 3.430 4.777 -1.348
NO2 Nitrogen dioxide 1.570 2.910 -1.340
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 7.071 8.401 -1.329
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.209 6.499 -1.290
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 5.240 6.499 -1.259
C6H12 hex-1-ene 10.433 11.650 -1.217
Cl Chlorine atom 1.020 2.180 -1.160
CH3CH2SH ethanethiol 6.246 7.380 -1.134
CH2ClCH2OH 2-Chloroethanol 5.755 6.880 -1.126
H2S Hydrogen sulfide 2.523 3.631 -1.107
NH2CH2CH2CH3 1-Propanamine 6.597 7.700 -1.102
HCl Hydrogen chloride 1.509 2.515 -1.005
CH3CH(CH3)CH3 Isobutane 7.016 8.009 -0.993
C5H8O Cyclopentanone 8.299 9.250 -0.951
Ar Argon atom 0.742 1.664 -0.922
PH3 Phosphine 3.315 4.237 -0.922
CH3CH(CH3)CN Propanenitrile, 2-methyl- 7.190 8.049 -0.860
C4H2 Diacetylene 6.012 6.811 -0.798
C4H8O2 Ethyl acetate 7.871 8.620 -0.749
C2N2 Cyanogen 4.269 5.015 -0.746
C2H4 Ethylene 3.471 4.188 -0.717
H Hydrogen atom 0.038 0.667 -0.629
C6H5F Fluorobenzene 9.605 10.200 -0.595
CH3NH2 methyl amine 3.178 3.754 -0.575
NO Nitric oxide 1.134 1.698 -0.564
NH3 Ammonia 1.549 2.103 -0.554
O2 Oxygen diatomic 1.036 1.562 -0.526
C6H4Cl2 1,3-dichlorobenzene 13.210 13.729 -0.519
CH4 Methane 1.936 2.448 -0.512
H2O Water 1.002 1.501 -0.499
CH3F Methyl fluoride 2.076 2.540 -0.464
SeF6 Selenium hexafluoride 4.868 5.320 -0.452
H2 Hydrogen diatomic 0.361 0.787 -0.427
CHONH2 formamide 3.664 4.080 -0.416
CHONH2 formamide 3.667 4.080 -0.413
Li Lithium atom 23.937 24.330 -0.393
CH3NO2 Methane, nitro- 4.414 4.800 -0.386
O Oxygen atom 0.460 0.802 -0.342
N2O Nitrous oxide 2.682 2.998 -0.315
CH3CHO Acetaldehyde 3.973 4.278 -0.305
SF6 Sulfur Hexafluoride 4.229 4.490 -0.261
HF Hydrogen fluoride 0.557 0.800 -0.243
F Fluorine atom 0.330 0.557 -0.227
F2 Fluorine diatomic 0.952 1.160 -0.208
N2 Nitrogen diatomic 1.514 1.710 -0.196
CO Carbon monoxide 1.767 1.953 -0.186
H2+ Hydrogen cation 0.294 0.469 -0.175
CO2 Carbon dioxide 2.339 2.507 -0.168
He Helium atom 0.057 0.208 -0.152
Ne Neon atom 0.259 0.381 -0.122
Be Beryllium atom 5.990 5.600 0.390
Na Sodium atom 27.375 24.110 3.266
C10H8 Azulene 18.886 15.520 3.366