%nprocshared=64 %mem=880000MB %NoSave %Chk=chk.chk %rwf=/rds/general/ephemeral/tmpdir/pbs.479522.pbs/rwf # opt ccsd(t,maxcycles=512)/6-31g(d) c18.mol 0 1 X C 1 B1 C 1 B1 2 20.0 C 1 B1 2 20.0 3 180.0 0 C 1 B1 3 20.0 2 180.0 0 C 1 B1 4 20.0 2 180.0 0 C 1 B1 5 20.0 3 180.0 0 C 1 B1 6 20.0 4 180.0 0 C 1 B1 7 20.0 5 180.0 0 C 1 B1 8 20.0 6 180.0 0 C 1 B1 9 20.0 7 180.0 0 C 1 B1 10 20.0 8 180.0 0 C 1 B1 11 20.0 9 180.0 0 C 1 B1 12 20.0 10 180.0 0 C 1 B1 13 20.0 11 180.0 0 C 1 B1 14 20.0 12 180.0 0 C 1 B1 15 20.0 13 180.0 0 C 1 B1 16 20.0 14 180.0 0 C 1 B1 17 20.0 15 180.0 0 B1 3.67494084