MRCC

Input File	Description
mrcc/ccsd_t_	CCSD(T) cc-pVDZ geometry optimization for the H2O molecule using MRCC.
mrcc/rohf_ccsdt_q_	rohf ccsdt(q) using mrcc
mrcc/ccsdt_q_	CCSDT(Q) cc-pVDZ energy for the H2O molecule using MRCC. This example builds up from CCSD. First CCSD, then CCSDT, finally CCSDT(Q).
mrcc/ccsdt	CCSDT cc-pVDZ energy for the H2O molecule using MRCC
mrcc/optfreq	CCSDT cc-pVDZ optimization and frequencies for the H2O molecule using MRCC