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III.G.11.

Comparison of polarizabilities for MP2/6-311G*

species name calculated experimental difference
CCl4 Carbon tetrachloride 7.239 10.002 -2.764
CFCl3 Trichloromonofluoromethane 5.798 7.931 -2.133
NO2 Nitrogen dioxide 0.871 2.910 -2.039
CF2Cl2 difluorodichloromethane 4.381 6.370 -1.990
CH3SCH3 Dimethyl sulfide 5.767 7.550 -1.783
CF3Cl Methane, chlorotrifluoro- 3.048 4.740 -1.692
C6H5F Fluorobenzene 8.531 10.200 -1.669
C5H5N Pyridine 7.874 9.493 -1.619
H2S Hydrogen sulfide 2.188 3.631 -1.442
CH3Cl Methyl chloride 2.985 4.416 -1.431
CH2F2 Methane, difluoro- 1.848 3.200 -1.352
HCl Hydrogen chloride 1.244 2.515 -1.271
C6H14 Hexane 10.218 11.447 -1.229
C2H2 Acetylene 2.322 3.487 -1.165
Ar Argon atom 0.504 1.664 -1.160
CH3OCH3 Dimethyl ether 4.029 5.160 -1.130
C2H4 Ethylene 3.102 4.188 -1.085
CH3CH2OH Ethanol 4.034 5.112 -1.078
C5H12 Pentane 8.549 9.579 -1.030
CH2CCH2 allene 4.682 5.690 -1.008
C3H6 Cyclopropane 4.648 5.640 -0.992
CF4 Carbon tetrafluoride 1.863 2.824 -0.962
HCOOH Formic acid 2.468 3.319 -0.851
CH3COCH3 Acetone 5.250 6.096 -0.846
CH3NH2 methyl amine 2.910 3.754 -0.844
CH3NHCH3 Dimethylamine 4.605 5.447 -0.842
H2CO Formaldehyde 1.952 2.770 -0.817
NH3 Ammonia 1.286 2.103 -0.817
O2 Oxygen diatomic 0.756 1.562 -0.806
CH3CH2CH2CH3 Butane 6.894 7.688 -0.794
NO Nitric oxide 0.911 1.698 -0.787
N2O Nitrous oxide 2.214 2.998 -0.784
H2O Water 0.764 1.501 -0.737
CH3OH Methyl alcohol 2.351 3.081 -0.730
C Carbon atom 1.052 1.760 -0.708
C3H8 Propane 5.243 5.921 -0.678
CH3F Methyl fluoride 1.868 2.540 -0.672
C2H6 Ethane 3.584 4.226 -0.642
CH3CHO Acetaldehyde 3.660 4.278 -0.619
CO2 Carbon dioxide 1.963 2.507 -0.545
CH4 Methane 1.920 2.448 -0.528
O Oxygen atom 0.288 0.802 -0.514
N Nitrogen atom 0.604 1.100 -0.496
N2 Nitrogen diatomic 1.257 1.710 -0.453
CO Carbon monoxide 1.524 1.953 -0.429
F Fluorine atom 0.148 0.557 -0.409
Ne Neon atom 0.081 0.381 -0.300
SO2 Sulfur dioxide 2.933 3.219 -0.285
Be Beryllium atom 6.000 5.600 0.400
Li Lithium atom 31.673 24.330 7.343
Na Sodium atom 35.059 24.110 10.949