TABLE I.
6−31G* |
aug-cc-pVTZ |
|||||||
---|---|---|---|---|---|---|---|---|
A1 | P1 | g03 | CFIT | A1 | P1 | g03 | CFIT | |
Hermite | 0.26(0.45) | 0.08(0.18) | 0.02(0.09) | 0.02(0.11) | 0.56(1.14) | 0.15(0.34) | 0.12(0.28) | 0.04(0.14) |
Multipole | 0.81(1.62) | 0.79(1.73) | 0.64(1.66) | 1.75(3.02) | 1.91(2.85) | 1.65(2.29) | 1.75(2.74) | 1.45(2.28) |