#!/bin/csh g09 <water.log %Chk=water #RHF/6-31G(d) water energy 0 1 O H 1 1.0 H 1 1.0 2 120.0 END echo "Job done. " SCF Done: E(RHF) = -74.9646569691 A.U. after 4 cycles Convg = .6164D-03