%nprocshared=64 %mem=880000MB %NoSave %Chk=chk.chk %rwf=/rds/general/ephemeral/tmpdir/pbs.481576.pbs/rwf # freq ccsd=maxcycles=512/6-31g(d) scf=conver=11 c18.mol 0 1 C 0.00000000 3.71039700 0.00000000 C 1.26903100 3.48663300 0.00000000 C -1.26903100 3.48663300 0.00000000 C 2.38499700 2.84232900 0.00000000 C -2.38499700 2.84232900 0.00000000 C 3.21329800 1.85519900 0.00000000 C -3.21329800 1.85519900 0.00000000 C 3.65402800 0.64430400 0.00000000 C -3.65402800 0.64430400 0.00000000 C 3.65402800 -0.64430400 0.00000000 C -3.65402800 -0.64430400 0.00000000 C 3.21329800 -1.85519900 0.00000000 C -3.21329800 -1.85519900 0.00000000 C 2.38499700 -2.84232900 0.00000000 C -2.38499700 -2.84232900 0.00000000 C 1.26903100 -3.48663300 0.00000000 C -1.26903100 -3.48663300 0.00000000 C 0.00000000 -3.71039700 0.00000000