...
Method | Gaussian | Turbomole | Molpro | GAMESS | NWChem | ORCA | Terachem | ADF |
---|---|---|---|---|---|---|---|---|
MP2 | freq | freqRI | grad | num gradRI | ||||
MP3 | freq | energy | ||||||
MP4+ | num grad | energy | ||||||
CIS | freq | |||||||
CI | grad | energy | num gradRI | |||||
CC2 | freqRI | |||||||
CCSD | num freq | energyRI | energy | num gradRI | ||||
CCSD+T(CCSD) | energy | |||||||
CCSD(T) | energyRI | energy | num gradRI | |||||
QCISD | num freq | num gradRI | ||||||
QCISD(T) | num grad | num gradRI | ||||||
CASSCF | freq | grad | num grad |
...