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

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 3.550    
(CH3)3CC(CH3)3 tetramethylbutane 12.062 15.610 -3.548
C9H20 Nonane 14.092 17.370 -3.278
AsCl3 Arsenous trichloride 8.358 11.370 -3.012
C6H4Cl2 1,3-dichlorobenzene 11.127 13.729 -2.602
CSe2 Carbon diselenide 8.684 11.269 -2.585
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.876 8.401 -2.524
C6H12 hex-1-ene 9.127 11.650 -2.523
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.685 8.000 -2.316
C6H5F Fluorobenzene 7.970 10.200 -2.230
CH3CH2SH ethanethiol 5.393 7.380 -1.986
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.526 6.499 -1.973
Cl2 Chlorine diatomic 2.643 4.610 -1.967
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.546 6.499 -1.953
CH2ClCH2OH 2-Chloroethanol 4.967 6.880 -1.913
C4H2 Diacetylene 4.912 6.811 -1.898
C5H8O Cyclopentanone 7.367 9.250 -1.883
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.343 8.049 -1.706
Li Lithium atom 22.662 24.330 -1.668
NO2 Nitrogen dioxide 1.251 2.910 -1.659
C4H8O2 Ethyl acetate 6.967 8.620 -1.653
SiH4 Silane 3.195 4.777 -1.583
Cl Chlorine atom 0.817 2.180 -1.363
C2H4 Ethylene 2.825 4.188 -1.362
SeF6 Selenium hexafluoride 3.966 5.320 -1.354
C2N2 Cyanogen 3.690 5.015 -1.325
CHONH2 formamide 2.920 4.080 -1.159
CHONH2 formamide 2.925 4.080 -1.154
Ar Argon atom 0.591 1.664 -1.073
SF6 Sulfur Hexafluoride 3.467 4.490 -1.023
O2 Oxygen diatomic 0.795 1.562 -0.767
CH3F Methyl fluoride 1.857 2.540 -0.683
CH4 Methane 1.799 2.448 -0.649
FCN Cyanogen fluoride 1.944 2.550 -0.606
Be Beryllium atom 5.027 5.600 -0.573
CO2 Carbon dioxide 1.962 2.507 -0.545
N2 Nitrogen diatomic 1.252 1.710 -0.458
O Oxygen atom 0.353 0.802 -0.449
F2 Fluorine diatomic 0.738 1.160 -0.422
F Fluorine atom 0.248 0.557 -0.309
Ne Neon atom 0.183 0.381 -0.198
C10H8 Azulene 15.853 15.520 0.333
Na Sodium atom 27.191 24.110 3.082