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Comparison of polarizabilities for MP2/Sadlej_pVTZ

Units are Å3
Change units.
species name calculated experimental difference
NO2 Nitrogen dioxide 1.953 2.910 -0.957
NO Nitric oxide 1.467 1.698 -0.231
O2 Oxygen diatomic 1.365 1.562 -0.197
C3H6 Cyclopropane 5.501 5.640 -0.139
CH3SCH3 Dimethyl sulfide 7.424 7.550 -0.126
CH3OCH3 Dimethyl ether 5.038 5.160 -0.122
CH2F2 Methane, difluoro- 2.645 2.761 -0.116
H2CO Formaldehyde 2.668 2.770 -0.102
CH3CH2OH Ethanol 5.012 5.112 -0.101
C Carbon atom 1.664 1.760 -0.096
C5H12 Pentane 9.787 9.879 -0.093
CH3CH2CH2CH3 Butane 7.948 8.020 -0.071
C2H4 Ethylene 4.140 4.188 -0.048
H2O Water 1.471 1.501 -0.030
O Oxygen atom 0.773 0.802 -0.029
CH3OH Methyl alcohol 3.188 3.210 -0.022
C2H2 Acetylene 3.466 3.487 -0.020
Cl Chlorine atom 2.165 2.180 -0.015
S Sulfur atom 2.887 2.900 -0.013
F Fluorine atom 0.550 0.557 -0.007
H2 Hydrogen diatomic 0.789 0.787 0.001
CH3F Methyl fluoride 2.541 2.540 0.001
CH3Cl Methyl chloride 4.422 4.416 0.007
Cl2 Chlorine diatomic 4.623 4.610 0.013
C6H14 Hexane 11.644 11.630 0.014
CO Carbon monoxide 1.975 1.953 0.022
P Phosphorus atom 3.660 3.630 0.030
N2 Nitrogen diatomic 1.749 1.710 0.039
CH3COCH3 Acetone 6.312 6.270 0.042
CF3Cl Methane, chlorotrifluoro- 4.699 4.650 0.049
CF4 Carbon tetrafluoride 2.878 2.824 0.054
N2O Nitrous oxide 3.056 2.998 0.058
F2 Fluorine diatomic 1.222 1.160 0.061
NH3 Ammonia 2.164 2.103 0.062
CH4 Methane 2.514 2.448 0.066
C2H6 Ethane 4.302 4.226 0.076
HCl Hydrogen chloride 2.595 2.515 0.081
H2S Hydrogen sulfide 3.712 3.631 0.082
HCOOH Formic acid 3.411 3.319 0.091
Li Lithium atom 24.464 24.330 0.134
CH3NH2 methyl amine 3.889 3.754 0.135
C5H5N Pyridine 9.660 9.493 0.166
C3H8 Propane 6.118 5.921 0.197
CO2 Carbon dioxide 2.720 2.507 0.213
CF2Cl2 difluorodichloromethane 6.602 6.370 0.231
SO2 Sulfur dioxide 4.134 3.882 0.252
C6H5F Fluorobenzene 10.469 10.200 0.269
CH3CHO Acetaldehyde 4.550 4.278 0.272
CFCl3 Trichloromonofluoromethane 8.524 8.249 0.275
CH3NHCH3 Dimethylamine 5.737 5.447 0.290
CH2CCH2 allene 6.082 5.690 0.392
CCl4 Carbon tetrachloride 10.434 10.002 0.431
Be Beryllium atom 6.153 5.600 0.553
N(CH3)3 Trimethylamine 7.658 7.076 0.582
Mg Magnesium atom 11.400 10.600 0.800
K Potassium atom 60.860 43.400 17.460