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III.G.11.

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

species name calculated experimental difference
CCl4 Carbon tetrachloride 8.507 10.002 -1.496
CH3SCH3 Dimethyl sulfide 6.232 7.550 -1.318
NO2 Nitrogen dioxide 1.617 2.910 -1.293
CH3Cl Methyl chloride 3.301 4.416 -1.115
H2S Hydrogen sulfide 2.524 3.631 -1.107
C6H14 Hexane 10.356 11.447 -1.091
HCl Hydrogen chloride 1.509 2.515 -1.006
CFCl3 Trichloromonofluoromethane 6.944 7.931 -0.987
CF2Cl2 difluorodichloromethane 5.392 6.370 -0.979
CH2F2 Methane, difluoro- 2.242 3.200 -0.958
Ar Argon atom 0.742 1.664 -0.923
C5H12 Pentane 8.662 9.579 -0.916
CH3OCH3 Dimethyl ether 4.293 5.160 -0.867
CH3CH2OH Ethanol 4.276 5.112 -0.837
CF3Cl Methane, chlorotrifluoro- 3.914 4.740 -0.827
C2H2 Acetylene 2.693 3.487 -0.794
C3H6 Cyclopropane 4.849 5.640 -0.791
CH3CH2CH2CH3 Butane 6.974 7.688 -0.714
C2H4 Ethylene 3.480 4.188 -0.708
H Hydrogen atom 0.038 0.667 -0.629
C3H8 Propane 5.298 5.921 -0.624
C2H6 Ethane 3.607 4.226 -0.619
C5H5N Pyridine 8.892 9.493 -0.602
NO Nitric oxide 1.129 1.698 -0.569
CH3NH2 methyl amine 3.186 3.754 -0.567
C6H5F Fluorobenzene 9.634 10.200 -0.566
H2CO Formaldehyde 2.203 2.770 -0.566
NH3 Ammonia 1.552 2.103 -0.551
C Carbon atom 1.216 1.760 -0.544
CH3NHCH3 Dimethylamine 4.914 5.447 -0.533
O2 Oxygen diatomic 1.034 1.562 -0.528
CH4 Methane 1.941 2.448 -0.507
H2O Water 1.004 1.501 -0.497
CH3OH Methyl alcohol 2.599 3.081 -0.482
CH2CCH2 allene 5.225 5.690 -0.465
CH3F Methyl fluoride 2.081 2.540 -0.459
H2 Hydrogen diatomic 0.361 0.787 -0.427
N Nitrogen atom 0.735 1.100 -0.365
HCOOH Formic acid 2.971 3.319 -0.348
O Oxygen atom 0.460 0.802 -0.342
N(CH3)3 Trimethylamine 6.757 7.076 -0.319
N2O Nitrous oxide 2.686 2.998 -0.312
CH3CHO Acetaldehyde 3.982 4.278 -0.296
CF4 Carbon tetrafluoride 2.555 2.824 -0.270
F Fluorine atom 0.330 0.557 -0.227
N2 Nitrogen diatomic 1.515 1.710 -0.195
CO Carbon monoxide 1.768 1.953 -0.185
CO2 Carbon dioxide 2.344 2.507 -0.164
He Helium atom 0.057 0.208 -0.152
Ne Neon atom 0.259 0.381 -0.122
Be Beryllium atom 5.995 5.600 0.395
SO2 Sulfur dioxide 3.634 3.219 0.416
Li Lithium atom 26.967 24.330 2.637
Na Sodium atom 35.302 24.110 11.192