III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For CCl3- (Trichloromethyl anion)
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | cc-pVDZ | ||
---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000417 | -0.014834 | -0.037232 | -0.009459 | -0.034335 | -0.034335 | -0.036298 | -0.165294 | -0.165294 | -0.020057 |
MP3=FULL | -0.031449 | -0.053027 | |||||||||
Coupled Cluster | CCSD(T)=FULL | -0.031874 | |||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | cc-pVDZ |