basis=cc-pvtz-pp occ=4,1,1,1,0,1,1,1/2,1,1,1,0,1,1,1 calc=CCSD(T) mult=3 mem=30000MB scftype=rohf rohftype=semicanonical scfmaxit=200 ccmaxit=300 geom=xyz 1 UCCSD(T)/CC-PVQZ-PP ENERGY=-143.66052951 Pt 0.0000000000 0.0000000000 0.0265871608