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Comparison of polarizabilities for B3PW91/cc-pCVTZ

Units are Å3
Change units.
species name calculated experimental difference
ClF3 Chlorine trifluoride 3.250 7.483 -4.233
ClF3 Chlorine trifluoride 3.801 7.483 -3.682
SiH3Cl chlorosilane 5.683 9.113 -3.431
CH2Cl2 Methylene chloride 5.279 6.659 -1.380
Cl2 Chlorine diatomic 3.419 4.610 -1.191
CF2Cl2 difluorodichloromethane 5.432 6.370 -0.939
CH3CH2SH ethanethiol 6.499 7.380 -0.880
H2S Hydrogen sulfide 2.791 3.631 -0.840
CF3Cl Methane, chlorotrifluoro- 3.816 4.650 -0.834
CH3CH2SH ethanethiol 6.556 7.380 -0.823
CH3Cl Methyl chloride 3.644 4.416 -0.772
SO2 Sulfur dioxide 3.132 3.882 -0.750
HCl Hydrogen chloride 1.792 2.515 -0.723
SO3 Sulfur trioxide 3.592 4.297 -0.706
C2H4 Ethylene 3.574 4.188 -0.614
CH3SH Methanethiol 4.656 5.186 -0.531
CH2F2 Methane, difluoro- 2.236 2.761 -0.525
Si2H6 disilane 8.889 9.410 -0.520
CHF3 Methane, trifluoro- 2.282 2.801 -0.519
H2CO Formaldehyde 2.284 2.770 -0.485
H2O Water 1.050 1.501 -0.451
HCN Hydrogen cyanide 2.148 2.593 -0.445
O2 Oxygen diatomic 1.146 1.562 -0.416
NO Nitric oxide 1.296 1.698 -0.403
PF5 Phosphorus pentafluoride 3.253 3.650 -0.397
BF3 Borane, trifluoro- 2.038 2.420 -0.382
CO2 Carbon dioxide 2.138 2.507 -0.370
SiH4 Silane 4.424 4.777 -0.353
F2 Fluorine diatomic 0.812 1.160 -0.348
CH3F Methyl fluoride 2.218 2.540 -0.322
CO Carbon monoxide 1.690 1.953 -0.263
N2 Nitrogen diatomic 1.452 1.710 -0.258
CaO Calcium monoxide 6.572 2.841 3.731