Page History

...

Method	Gaussian	Turbomole	Molpro	GAMESS	NWChem	ORCA
MP2	freq	freq^RI	grad^RI	grad	grad	num grad^RI
MP3	freq	energy	num grad
MP4+	num grad	energy	num grad
CIS	freq		num grad	energy	energy	grad
CI	grad		num grad	grad	energy	num grad^RI
CC2		freq^RI
CCSD	num freq	energy^RI	grad	energy	energy	num grad^RI
CCSD+T(CCSD)					energy
CCSD(T)		energy^RI	num grad	energy	energy	num grad^RI
QCISD	num freq		grad			num grad^RI
QCISD(T)	num grad		grad			num grad^RI
CASSCF	freq		grad	energy	grad	num grad

...

Space shortcuts