%chk=000085105.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000085105 0 1 N -1.195900 2.9000000E-03 -1.092200 C 0.6945000 -1.6000000E-03 0.4529000 C 1.368300 1.268000 -9.6500002E-02 C 1.369100 -1.267900 -0.1033000 C 2.872400 1.262400 0.1715000 C 2.873200 -1.262800 0.1648000 C 3.536900 1.5000000E-03 -0.3732000 C -0.8021000 -7.9999998E-04 0.1999000 C -1.670100 -3.5000001E-03 1.278500 C -3.034900 -2.7000001E-03 1.012800 C -2.530000 3.7000000E-03 -1.311300 C -3.481300 8.9999998E-04 -0.3040000 H 0.8564000 -4.4000000E-03 1.540600 H 0.9211000 2.159400 0.3606000 H 1.197400 1.352400 -1.177700 H 1.198300 -1.346600 -1.184900 H 0.9224000 -2.162000 0.3491000 H 3.050800 1.332200 1.251700 H 3.330600 2.146800 -0.2853000 H 3.332000 -2.144500 -0.2967000 H 3.051700 -1.338200 1.244600 H 3.481200 4.4000000E-03 -1.468800 H 4.599900 1.1000000E-03 -0.1073000 H -1.316100 -6.3999998E-03 2.303600 H -3.749500 -4.8000002E-03 1.830400 H -2.826100 6.6000000E-03 -2.355100 H -4.540500 1.7000000E-03 -0.5345000 %chk=000085105-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000085105 0 1 N -1.174340 0.002080 -1.054716 C 0.712526 -0.001554 0.527890 C 1.380737 1.277115 -0.057187 C 1.381051 -1.276630 -0.064648 C 2.912500 1.273802 0.155595 C 2.912823 -1.274139 0.148099 C 3.562585 0.001638 -0.437242 C -0.786118 -0.000915 0.262720 C -1.738603 -0.003146 1.315229 C -3.117569 -0.002371 1.008840 C -2.507592 0.002788 -1.337752 C -3.516443 0.000640 -0.347091 H 0.870193 -0.004743 1.627451 H 0.931922 2.178401 0.405412 H 1.145622 1.316996 -1.138544 H 1.145844 -1.310291 -1.146193 H 0.932508 -2.180712 0.392727 H 3.134954 1.323033 1.242489 H 3.355245 2.180199 -0.302137 H 3.355799 -2.177710 -0.314964 H 3.135302 -1.329720 1.234688 H 3.430256 0.004876 -1.539061 H 4.653062 0.001199 -0.242373 H -1.395284 -0.005453 2.355807 H -3.864960 -0.004080 1.809848 H -2.768704 0.005168 -2.403045 H -4.573615 0.001328 -0.631644