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Comparison of polarizabilities for MP2=FULL/Sadlej_pVTZ

Units are Å3
Change units.
species name calculated experimental difference
K Potassium atom 41.260 43.400 -2.140
NO2 Nitrogen dioxide 1.903 2.910 -1.008
NO Nitric oxide 1.471 1.698 -0.227
O2 Oxygen diatomic 1.366 1.562 -0.196
C3H6 Cyclopropane 5.486 5.640 -0.154
CH3OCH3 Dimethyl ether 5.027 5.160 -0.132
CH3SCH3 Dimethyl sulfide 7.418 7.550 -0.132
CH2F2 Methane, difluoro- 2.641 2.761 -0.120
C5H12 Pentane 9.760 9.879 -0.120
CH3CH2OH Ethanol 5.001 5.112 -0.112
H2CO Formaldehyde 2.664 2.770 -0.106
C Carbon atom 1.664 1.760 -0.096
CH3CH2CH2CH3 Butane 7.927 8.020 -0.092
C2H4 Ethylene 4.130 4.188 -0.057
H2O Water 1.470 1.501 -0.031
O Oxygen atom 0.773 0.802 -0.029
C2H2 Acetylene 3.459 3.487 -0.028
CH3OH Methyl alcohol 3.182 3.210 -0.028
C6H14 Hexane 11.611 11.630 -0.019
Cl Chlorine atom 2.170 2.180 -0.010
F Fluorine atom 0.550 0.557 -0.007
S Sulfur atom 2.895 2.900 -0.005
CH3F Methyl fluoride 2.537 2.540 -0.003
H2 Hydrogen diatomic 0.789 0.787 0.001
CH3Cl Methyl chloride 4.422 4.416 0.006
Cl2 Chlorine diatomic 4.630 4.610 0.020
CO Carbon monoxide 1.973 1.953 0.020
CH3COCH3 Acetone 6.297 6.270 0.028
N2 Nitrogen diatomic 1.747 1.710 0.037
P Phosphorus atom 3.669 3.630 0.039
CF3Cl Methane, chlorotrifluoro- 4.699 4.650 0.049
CF4 Carbon tetrafluoride 2.874 2.824 0.050
N2O Nitrous oxide 3.052 2.998 0.054
NH3 Ammonia 2.161 2.103 0.059
CH4 Methane 2.509 2.448 0.061
F2 Fluorine diatomic 1.221 1.160 0.061
C2H6 Ethane 4.292 4.226 0.066
HCl Hydrogen chloride 2.601 2.515 0.086
HCOOH Formic acid 3.406 3.319 0.087
H2S Hydrogen sulfide 3.721 3.631 0.091
Mg Magnesium atom 10.725 10.600 0.125
CH3NH2 methyl amine 3.881 3.754 0.127
C5H5N Pyridine 9.634 9.493 0.140
C3H8 Propane 6.103 5.921 0.181
CO2 Carbon dioxide 2.716 2.507 0.208
CF2Cl2 difluorodichloromethane 6.604 6.370 0.234
C6H5F Fluorobenzene 10.441 10.200 0.241
SO2 Sulfur dioxide 4.133 3.882 0.250
CH3CHO Acetaldehyde 4.541 4.278 0.263
CH3NHCH3 Dimethylamine 5.724 5.447 0.277
CFCl3 Trichloromonofluoromethane 8.529 8.249 0.280
CH2CCH2 allene 6.068 5.690 0.378
CCl4 Carbon tetrachloride 10.439 10.002 0.436
Li Lithium atom 24.841 24.330 0.511
Be Beryllium atom 6.157 5.600 0.557
N(CH3)3 Trimethylamine 7.640 7.076 0.564
Na Sodium atom 24.696 24.110 0.586