%NProc=1 %Mem=40MW %Chk=hnc.chk # MP2/aug-cc-pVTZ Opt MaxDisk=1GW Hydrogen isocyanide: geometry optimization (product) 0 1 n c 1 cn2 h 1 hn3 2 hnc3 cn2 1.180000 hn3 0.990000 hnc3 180.000