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III.G.11.

Comparison of polarizabilities for MP2/6-31G

species name calculated experimental difference
O2 Oxygen diatomic -3.941 1.562 -5.502
CCl4 Carbon tetrachloride 6.996 10.002 -3.006
C6H5F Fluorobenzene 7.866 10.200 -2.334
CFCl3 Trichloromonofluoromethane 5.655 7.931 -2.276
C5H5N Pyridine 7.301 9.493 -2.193
CF2Cl2 difluorodichloromethane 4.270 6.370 -2.101
CH3SCH3 Dimethyl sulfide 5.600 7.550 -1.950
C6H14 Hexane 9.506 11.447 -1.942
CF3Cl Methane, chlorotrifluoro- 2.932 4.740 -1.809
NO2 Nitrogen dioxide 1.229 2.910 -1.681
C5H12 Pentane 7.944 9.579 -1.634
CH3Cl Methyl chloride 2.851 4.416 -1.565
H2S Hydrogen sulfide 2.093 3.631 -1.537
C2H2 Acetylene 1.960 3.487 -1.527
HCl Hydrogen chloride 1.017 2.515 -1.498
CH2F2 Methane, difluoro- 1.747 3.200 -1.453
CH2CCH2 allene 4.242 5.690 -1.448
Ar Argon atom 0.237 1.664 -1.428
C2H4 Ethylene 2.783 4.188 -1.405
C3H6 Cyclopropane 4.307 5.640 -1.333
CH3CH2OH Ethanol 3.787 5.112 -1.325
CH3OCH3 Dimethyl ether 3.838 5.160 -1.322
CH3CH2CH2CH3 Butane 6.398 7.688 -1.290
CH3COCH3 Acetone 4.885 6.096 -1.212
NO Nitric oxide 0.514 1.698 -1.184
N(CH3)3 Trimethylamine 5.912 7.076 -1.164
CH3NHCH3 Dimethylamine 4.306 5.447 -1.142
NH3 Ammonia 1.015 2.103 -1.087
CH3NH2 methyl amine 2.666 3.754 -1.087
CF4 Carbon tetrafluoride 1.759 2.824 -1.066
C3H8 Propane 4.863 5.921 -1.059
HCOOH Formic acid 2.351 3.319 -0.968
H2CO Formaldehyde 1.810 2.770 -0.959
CH3CHO Acetaldehyde 3.387 4.278 -0.891
C2H6 Ethane 3.339 4.226 -0.887
H2O Water 0.647 1.501 -0.854
CH3OH Methyl alcohol 2.229 3.081 -0.852
N2O Nitrous oxide 2.227 2.998 -0.771
CH3F Methyl fluoride 1.773 2.540 -0.767
Be Beryllium atom 4.889 5.600 -0.711
C Carbon atom 1.065 1.760 -0.695
CH4 Methane 1.797 2.448 -0.651
O Oxygen atom 0.243 0.802 -0.559
CO2 Carbon dioxide 1.990 2.507 -0.517
N2 Nitrogen diatomic 1.198 1.710 -0.512
CO Carbon monoxide 1.450 1.953 -0.503
F Fluorine atom 0.093 0.557 -0.464
N Nitrogen atom 0.642 1.100 -0.458
Ne Neon atom 0.035 0.381 -0.346
SO2 Sulfur dioxide 3.205 3.219 -0.014
Li Lithium atom 25.069 24.330 0.739
Na Sodium atom 32.442 24.110 8.333