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III.G.11.

Comparison of polarizabilities for HF/aug-cc-pVQZ

species name calculated experimental difference
NaLi lithium sodium 36.481 39.999 -3.518
CH3CH2CH2CH3 Butane 7.300 7.688 -0.388
H2CO Formaldehyde 2.415 2.770 -0.354
H2CO Formaldehyde 2.415 2.770 -0.354
CH3Br methyl bromide 5.264 5.610 -0.346
H2O Water 1.229 1.501 -0.272
CH3NH2 methyl amine 3.505 3.754 -0.248
CO2 Carbon dioxide 2.268 2.507 -0.239
C2H6 Ethane 3.992 4.226 -0.234
CH3F Methyl fluoride 2.306 2.540 -0.234
NH3 Ammonia 1.879 2.103 -0.224
CH3OH Methyl alcohol 2.857 3.081 -0.224
CH3OH Methyl alcohol 2.857 3.081 -0.223
CH3Cl Methyl chloride 4.192 4.416 -0.223
C2H6 Ethane 4.004 4.226 -0.223
CO Carbon monoxide 1.791 1.953 -0.162
C2H4 Ethylene 4.048 4.188 -0.140
O2 Oxygen diatomic 1.426 1.562 -0.136
NO Nitric oxide 1.567 1.698 -0.131
C2H2 Acetylene 3.358 3.487 -0.129
H2S Hydrogen sulfide 3.512 3.631 -0.119
CH4 Methane 2.348 2.448 -0.100
N2 Nitrogen diatomic 1.650 1.710 -0.060
N2 Nitrogen diatomic 1.650 1.710 -0.060
HCl Hydrogen chloride 2.467 2.515 -0.047
HD Deuterium hydride 0.765 0.791 -0.026
O2 Oxygen diatomic 1.538 1.562 -0.024
H2 Hydrogen diatomic 0.765 0.787 -0.023
D2 Deuterium diatomic 0.765 0.783 -0.019
H Hydrogen atom 0.666 0.667 -0.001
CO Carbon monoxide 2.082 1.953 0.129
Li Lithium atom 25.165 24.330 0.835