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III.G.11.

Comparison of polarizabilities for HF/Sadlej_pVTZ

species name calculated experimental difference
NaLi lithium sodium 35.876 39.999 -4.123
CH2F2 Methane, difluoro- 2.333 3.200 -0.867
C6H14 Hexane 10.875 11.447 -0.572
CH3OCH3 Dimethyl ether 4.590 5.160 -0.570
CH3CH2OH Ethanol 4.569 5.112 -0.543
CH3SCH3 Dimethyl sulfide 7.012 7.550 -0.538
CF3Cl Methane, chlorotrifluoro- 4.232 4.740 -0.508
C3H6 Cyclopropane 5.134 5.640 -0.506
C5H12 Pentane 9.149 9.579 -0.429
C5H5N Pyridine 9.072 9.493 -0.422
HCOOH Formic acid 2.915 3.319 -0.404
CF4 Carbon tetrafluoride 2.445 2.824 -0.379
N2O Nitrous oxide 2.628 2.998 -0.370
C6H5F Fluorobenzene 9.830 10.200 -0.370
NO2 Nitrogen dioxide 2.555 2.910 -0.356
H2CO Formaldehyde 2.423 2.770 -0.347
CH3COCH3 Acetone 5.753 6.096 -0.343
CF2Cl2 difluorodichloromethane 6.101 6.370 -0.270
H2O Water 1.237 1.501 -0.264
CH3CH2CH2CH3 Butane 7.436 7.688 -0.251
CO2 Carbon dioxide 2.283 2.507 -0.224
CH3F Methyl fluoride 2.317 2.540 -0.223
CH3NH2 methyl amine 3.534 3.754 -0.219
NH3 Ammonia 1.894 2.103 -0.209
CH3OH Methyl alcohol 2.875 3.081 -0.205
CH3NHCH3 Dimethylamine 5.244 5.447 -0.203
CH3Cl Methyl chloride 4.217 4.416 -0.199
C3H8 Propane 5.733 5.921 -0.188
C2H6 Ethane 4.046 4.226 -0.181
CO Carbon monoxide 1.785 1.953 -0.168
CCl4 Carbon tetrachloride 9.842 10.002 -0.160
CH3CHO Acetaldehyde 4.126 4.278 -0.152
NO Nitric oxide 1.567 1.698 -0.131
N(CH3)3 Trimethylamine 6.968 7.076 -0.107
C2H2 Acetylene 3.383 3.487 -0.104
C2H4 Ethylene 4.087 4.188 -0.100
O Oxygen atom 0.703 0.802 -0.099
H2S Hydrogen sulfide 3.545 3.631 -0.085
Cl Chlorine atom 2.096 2.180 -0.084
S Sulfur atom 2.822 2.900 -0.078
CH4 Methane 2.373 2.448 -0.075
F Fluorine atom 0.485 0.557 -0.072
N2 Nitrogen diatomic 1.648 1.710 -0.062
N Nitrogen atom 1.052 1.100 -0.048
C Carbon atom 1.720 1.760 -0.040
HCl Hydrogen chloride 2.478 2.515 -0.037
O2 Oxygen diatomic 1.549 1.562 -0.013
H2 Hydrogen diatomic 0.777 0.787 -0.010
H Hydrogen atom 0.665 0.667 -0.002
CFCl3 Trichloromonofluoromethane 7.981 7.931 0.050
SO2 Sulfur dioxide 3.484 3.219 0.266
CH2CCH2 allene 6.032 5.690 0.342
Li Lithium atom 24.855 24.330 0.525
Be Beryllium atom 6.599 5.600 0.999
Mg Magnesium atom 12.113 10.600 1.513
Na Sodium atom 28.253 24.110 4.143
K Potassium atom 61.346 43.400 17.946