UHF-CCSD(T) energy calculation using xecc N H 1 R H 1 R 2 A R=1.008 A=105.0 *ACES2(CALC=CCSD(T),BASIS=qz2p CC_PROG=ECC MULT=2,REF=UHF OCCUPATION=3-1-1-0/3-0-1-0 SCF_CONV=12 CC_CONV=12 MEMORY=20000000)