basis=cc-pvtz-pp occ=7,2,2,1/6,2,2,1 calc=CCSD(T) ovirt=mp2 mult=2 core=5 mem=60000MB scftype=uhf scfmaxit=200 ccmaxit=300 geom=xyz 2 UCCSD(T)/CC-PVQZ-PP ENERGY=-143.66052951 Pt 0.0000000000 0.0000000000 0.0265871608 B 0.0000000000 0.0000000000 1.7824128392