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III.G.11.

Comparison of polarizabilities for HF/6-311G**

species name calculated experimental difference
NaLi lithium sodium 36.289 39.999 -3.710
CCl4 Carbon tetrachloride 7.053 10.002 -2.949
CFCl3 Trichloromonofluoromethane 5.591 7.931 -2.340
CF2Cl2 difluorodichloromethane 4.166 6.370 -2.204
CF3Cl Methane, chlorotrifluoro- 2.834 4.740 -1.906
C6H5F Fluorobenzene 8.315 10.200 -1.885
CH3Br methyl bromide 3.790 5.610 -1.820
C5H5N Pyridine 7.689 9.493 -1.805
CH3SCH3 Dimethyl sulfide 5.759 7.550 -1.791
Cl Chlorine atom 0.712 2.180 -1.468
CH2F2 Methane, difluoro- 1.751 3.200 -1.449
C6H14 Hexane 10.026 11.447 -1.421
CH3Cl Methyl chloride 3.009 4.416 -1.407
H2S Hydrogen sulfide 2.251 3.631 -1.379
CH3OCH3 Dimethyl ether 3.913 5.160 -1.246
HCl Hydrogen chloride 1.282 2.515 -1.232
C5H12 Pentane 8.404 9.579 -1.175
CH3CH2OH Ethanol 3.947 5.112 -1.166
CF4 Carbon tetrafluoride 1.664 2.824 -1.160
Ar Argon atom 0.513 1.664 -1.151
HCOOH Formic acid 2.249 3.319 -1.071
C2H2 Acetylene 2.420 3.487 -1.066
CH3COCH3 Acetone 5.047 6.096 -1.049
C3H6 Cyclopropane 4.615 5.640 -1.025
NO2 Nitrogen dioxide 1.893 2.910 -1.018
N2O Nitrous oxide 2.000 2.998 -0.998
N(CH3)3 Trimethylamine 6.131 7.076 -0.945
CH3CH2CH2CH3 Butane 6.749 7.688 -0.939
CH3NHCH3 Dimethylamine 4.511 5.447 -0.936
C2H4 Ethylene 3.266 4.188 -0.922
CH3CH2CH2CH3 Butane 6.796 7.688 -0.892
H2CO Formaldehyde 1.901 2.770 -0.869
H2CO Formaldehyde 1.901 2.770 -0.869
CH3NH2 methyl amine 2.895 3.754 -0.859
CO2 Carbon dioxide 1.699 2.507 -0.808
NH3 Ammonia 1.318 2.103 -0.785
CH2CCH2 allene 4.919 5.690 -0.771
CH3CHO Acetaldehyde 3.517 4.278 -0.761
CH3OH Methyl alcohol 2.322 3.081 -0.759
CH3OH Methyl alcohol 2.322 3.081 -0.759
C3H8 Propane 5.192 5.921 -0.730
H2O Water 0.797 1.501 -0.704
CH3F Methyl fluoride 1.838 2.540 -0.702
C2H6 Ethane 3.527 4.226 -0.699
O2 Oxygen diatomic 0.907 1.562 -0.655
C2H6 Ethane 3.584 4.226 -0.643
NO Nitric oxide 1.085 1.698 -0.613
N Nitrogen atom 0.491 1.100 -0.609
SO2 Sulfur dioxide 2.622 3.219 -0.596
H Hydrogen atom 0.087 0.667 -0.580
CO Carbon monoxide 1.385 1.953 -0.568
C Carbon atom 1.222 1.760 -0.538
CO Carbon monoxide 1.429 1.953 -0.525
O2 Oxygen diatomic 1.052 1.562 -0.510
O Oxygen atom 0.295 0.802 -0.507
CH4 Methane 1.955 2.448 -0.493
B Boron atom 2.557 3.030 -0.473
N2 Nitrogen diatomic 1.242 1.710 -0.468
N2 Nitrogen diatomic 1.242 1.710 -0.468
N Nitrogen atom 0.667 1.100 -0.433
F Fluorine atom 0.150 0.557 -0.407
HD Deuterium hydride 0.432 0.791 -0.359
H2 Hydrogen diatomic 0.432 0.787 -0.356
D2 Deuterium diatomic 0.432 0.783 -0.352
H2+ Hydrogen cation 0.323 0.469 -0.147
He Helium atom 0.094 0.208 -0.114
Li Lithium atom 25.138 24.330 0.808
Be Beryllium atom 6.570 5.600 0.970
Be Beryllium atom 6.570 5.600 0.970
Na Sodium atom 27.991 24.110 3.882