%nprocshared=8 %mem=19800MB %NoSave %Chk=/var/tmp/pbs.549875.cx1/chk.chk %rwf=/var/tmp/pbs.549875.cx1/rwf # opt density=current wB97XD/def2tzvpp output=wfn pop=no freq scf=(conver=9,maxcycles=2048) symmetry=follow Title Card Required 0 1 C 0.00000000 0.00000000 1.24260000 C -0.00000000 0.00000000 -1.24260000 H 0.00000000 0.00000000 2.31228400 H -0.00000000 0.00000000 -2.31228400 C 0.00000000 0.00000000 0.00000000 a.wfn