.. _`apdx:testSuitemrcc`: ============================================= MRCC ============================================= ============================================= ============ Input File Description ============================================= ============ :srcsample:`mrcc/ccsd\_t\_` CCSD(T) cc-pVDZ geometry optimization for the H2O molecule using MRCC. :srcsample:`mrcc/ccsdt` CCSDT cc-pVDZ energy for the H2O molecule using MRCC :srcsample:`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). :srcsample:`mrcc/optfreq` CCSDT cc-pVDZ optimization and frequencies for the H2O molecule using MRCC ============================================= ============