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Comparison of polarizabilities for HF/cc-pCVTZ

Units are Å3
Change units.
species name calculated experimental difference
ClF3 Chlorine trifluoride 2.920 7.483 -4.564
ClF3 Chlorine trifluoride 3.566 7.483 -3.917
SiH3Cl chlorosilane 5.273 9.113 -3.840
BeH2 beryllium dihydride 2.609 4.340 -1.732
CS2 Carbon disulfide 7.033 8.749 -1.716
CF2Cl2 difluorodichloromethane 5.040 6.370 -1.330
Cl2 Chlorine diatomic 3.403 4.610 -1.207
CF3Cl Methane, chlorotrifluoro- 3.477 4.650 -1.174
CH3CH2SH ethanethiol 6.208 7.380 -1.171
SO3 Sulfur trioxide 3.127 4.297 -1.170
Si2H6 disilane 8.246 9.410 -1.164
CH3CH2SH ethanethiol 6.237 7.380 -1.142
SO2 Sulfur dioxide 2.866 3.882 -1.017
H2S Hydrogen sulfide 2.707 3.631 -0.923
PF5 Phosphorus pentafluoride 2.753 3.650 -0.897
CH3Cl Methyl chloride 3.529 4.416 -0.887
C2H4O Ethylene oxide 3.612 4.431 -0.818
CHF3 Methane, trifluoro- 2.020 2.801 -0.781
HCl Hydrogen chloride 1.744 2.515 -0.770
N2O Nitrous oxide 2.238 2.998 -0.760
CH2F2 Methane, difluoro- 2.021 2.761 -0.740
CH3SH Methanethiol 4.494 5.186 -0.693
BF3 Borane, trifluoro- 1.735 2.420 -0.684
SiH4 Silane 4.102 4.777 -0.675
C2H4 Ethylene 3.531 4.188 -0.657
H2CO Formaldehyde 2.121 2.770 -0.648
CO2 Carbon dioxide 1.948 2.507 -0.559
H2O Water 0.956 1.501 -0.545
HCN Hydrogen cyanide 2.072 2.593 -0.521
CH3F Methyl fluoride 2.064 2.540 -0.476
PH3 Phosphine 3.787 4.237 -0.450
NO Nitric oxide 1.254 1.698 -0.444
C2H6 Ethane 3.819 4.226 -0.407
CH2CCH2 allene 5.301 5.690 -0.389
CO Carbon monoxide 1.593 1.953 -0.360
O2 Oxygen diatomic 1.204 1.562 -0.358
F2 Fluorine diatomic 0.823 1.160 -0.337
N2 Nitrogen diatomic 1.400 1.710 -0.310
HF Hydrogen fluoride 0.492 0.800 -0.308
Li Lithium atom 25.075 24.330 0.745
Be Beryllium atom 6.715 5.600 1.115
CaO Calcium monoxide 4.471 2.841 1.631
MgO magnesium oxide 9.323 1.750 7.573