%nprocshared=12 %mem=19800MB %NoSave %Chk=chk.chk %rwf=/tmp/pbs.6230414.cx1b/rwf # freq rwb97xd/6-311g(d,p) integral=grid=ultrafine Title Card Required 0 1 6 0 3.117046 -0.872634 -0.244445 6 0 3.214124 0.478989 -0.557138 6 0 2.193488 1.351742 -0.195326 6 0 1.075426 0.873154 0.479555 6 0 0.978214 -0.479756 0.791792 6 0 1.999350 -1.352028 0.430335 1 0 3.913778 -1.552227 -0.526803 1 0 4.086130 0.851770 -1.083358 1 0 2.270183 2.405784 -0.438920 1 0 0.260050 1.529907 0.762145 1 0 0.092148 -0.829258 1.310182 1 0 1.925491 -2.406000 0.675617 1 0 -0.912222 0.040085 -0.954471 7 0 -2.223910 0.487549 1.049102 7 0 -1.891000 -0.094127 -1.166193 6 0 -2.699067 0.043923 -0.050623 7 0 -4.009517 -0.358404 -0.295314 1 0 -4.671140 -0.100033 0.419083 1 0 -4.343500 -0.154455 -1.225509 1 0 -2.063292 -0.925790 -1.710695 1 0 -2.958125 0.634752 1.734665