%chk=000036382.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000036382 0 1 N -5.022100 7.8599997E-02 0.9516000 C 2.731000 -8.9400001E-02 -0.6199000 C 1.314800 -7.3000002E-03 -4.7100000E-02 C 3.784600 2.5800001E-02 0.4829000 C 0.2625000 -8.8600002E-02 -1.155000 C 5.199800 -2.2500001E-02 -9.2600003E-02 C -1.137300 -4.4500001E-02 -0.5979000 C 6.249300 0.1258000 0.9972000 C -1.771800 -1.228800 -0.2545000 C -1.768100 1.180200 -0.4364000 C -3.066900 -1.187900 0.2619000 C -3.063200 1.221300 8.0200002E-02 C -3.712600 3.7200000E-02 0.4294000 H 2.858600 -1.039100 -1.153400 H 2.876800 0.7149000 -1.351300 H 1.196400 0.9313000 0.5092000 H 1.164900 -0.8218000 0.6729000 H 3.652300 -0.7885000 1.205500 H 3.643100 0.9673000 1.027700 H 0.4011000 0.7342000 -1.868200 H 0.3961000 -1.010800 -1.735400 H 5.355800 -0.9722000 -0.6175000 H 5.331000 0.7801000 -0.8278000 H 7.253600 8.6999997E-02 0.5640000 H 6.141100 1.082100 1.518800 H 6.165900 -0.6793000 1.734200 H -1.276500 -2.187600 -0.3791000 H -1.269800 2.107800 -0.7035000 H -3.562000 -2.117500 0.5308000 H -3.555500 2.182300 0.2063000 H -5.490500 0.9666000 1.073900 H -5.493100 -0.7795000 1.205600 %chk=000036382-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000036382 0 1 N -5.112755 0.099900 0.999395 C 2.773681 -0.077377 -0.627807 C 1.330691 -0.002400 -0.081405 C 3.850891 0.071511 0.470195 C 0.251776 -0.141749 -1.191613 C 5.295748 -0.013084 -0.073535 C -1.169638 -0.080829 -0.651993 C 6.365309 0.137136 1.029953 C -1.888530 -1.259472 -0.326408 C -1.813422 1.160594 -0.409983 C -3.187635 -1.211501 0.218956 C -3.111223 1.231213 0.134372 C -3.822444 0.040452 0.460574 H 2.917041 -1.045252 -1.153297 H 2.918115 0.714364 -1.393296 H 1.181089 0.960362 0.448467 H 1.174828 -0.798706 0.674527 H 3.703331 -0.715844 1.238948 H 3.712730 1.042121 0.991115 H 0.412193 0.662466 -1.938217 H 0.414856 -1.101374 -1.721827 H 5.432216 -0.983334 -0.593731 H 5.441829 0.773763 -0.841773 H 7.388625 0.077828 0.615317 H 6.265644 1.110096 1.547404 H 6.262551 -0.658580 1.792024 H -1.423293 -2.237380 -0.506499 H -1.289792 2.093333 -0.657565 H -3.718275 -2.142792 0.455082 H -3.582619 2.207674 0.304625 H -5.565240 0.992820 1.168414 H -5.618979 -0.748759 1.232082