%mem=1000MB %nprocs=1 %chk=1.chk #P B3LYP/cc-pVDZ opt freq Staggered Ethane 0,1 6 0.000000000 0.000000000 -0.770000000 1 -0.873651400 -0.504402900 -1.126666300 1 0.873651400 -0.504402900 -1.126666300 1 0.000000000 1.008805700 -1.126666300 6 0.000000000 0.000000000 0.770000000 1 -0.873651400 -0.504402900 1.126666300 1 0.873651400 -0.504402900 1.126666300 1 0.000000000 1.008805700 1.126666300