%chk=000112522.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112522 0 1 O -2.474400 0.3151000 7.9300001E-02 O -1.502100 1.747900 -1.437600 N 6.254600 -0.8531000 0.5812000 C -4.854700 7.6600000E-02 0.5279000 C -4.902500 -1.443100 0.2773000 C -3.763800 0.7903000 -0.2814000 C -4.662100 0.3359000 2.026500 C -5.164500 -1.811500 -1.175900 C -1.419800 0.8810000 -0.5791000 C -0.1379000 0.2875000 -9.0400003E-02 C 0.9822000 0.7690000 -0.6615000 C 2.351500 0.3478000 -0.3387000 C -0.2019000 -0.8012000 0.9424000 C 3.052500 1.009300 0.6597000 C 2.924800 -0.7059000 -1.036900 C 4.939600 -0.4486000 0.2713000 C 4.353200 0.6093000 0.9662000 C 4.225400 -1.106200 -0.7304000 H -5.822400 0.5038000 0.2344000 H -3.965700 -1.912800 0.6012000 H -5.700100 -1.880100 0.8910000 H -3.814100 1.867600 -7.7699997E-02 H -3.925000 0.6481000 -1.355700 H -4.641300 1.410800 2.235300 H -3.728300 -0.1007000 2.396500 H -5.486500 -9.7999997E-02 2.602600 H -6.062800 -1.313100 -1.553200 H -4.320200 -1.543500 -1.817700 H -5.313900 -2.892400 -1.266400 H 0.9418000 1.550400 -1.417200 H 0.7843000 -1.188300 1.214200 H -0.7893000 -1.647700 0.5709000 H -0.6666000 -0.4282000 1.861300 H 2.607300 1.835100 1.208600 H 2.379100 -1.226400 -1.819600 H 4.899500 1.129700 1.748700 H 4.671300 -1.931800 -1.279200 H 6.680000 -1.620500 7.8199998E-02 H 6.772700 -0.3772000 1.307800 %chk=000112522-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000112522 0 1 O -2.569572 0.195153 0.253303 O -1.433571 2.026499 -0.625175 N 6.584499 -0.643080 0.244762 C -4.996938 0.066773 0.527705 C -5.081335 -1.337365 -0.130501 C -3.842108 0.917424 -0.024090 C -4.919305 -0.045841 2.068978 C -5.301821 -1.319905 -1.658906 C -1.392206 0.875273 -0.108158 C -0.165651 0.082202 0.190531 C 1.022777 0.711498 -0.129974 C 2.413978 0.285949 -0.001994 C -0.305114 -1.299429 0.802712 C 3.423220 1.223572 -0.393298 C 2.873311 -0.983866 0.473357 C 5.229228 -0.338264 0.162650 C 4.791289 0.932928 -0.316233 C 4.239992 -1.289725 0.553494 H -5.924072 0.622095 0.263153 H -4.153077 -1.893479 0.104283 H -5.912987 -1.890117 0.351009 H -3.796365 1.909141 0.463225 H -3.917985 1.079148 -1.114667 H -4.923195 0.951329 2.547695 H -3.991605 -0.563247 2.372617 H -5.778945 -0.617241 2.465120 H -6.203116 -0.736437 -1.928457 H -4.440049 -0.878060 -2.191155 H -5.437560 -2.345677 -2.048208 H 0.893158 1.718039 -0.556072 H 0.248733 -1.372150 1.758101 H 0.090478 -2.081291 0.125666 H -1.361332 -1.529061 1.001466 H 3.108507 2.206355 -0.765579 H 2.156727 -1.747188 0.780126 H 5.530746 1.681812 -0.625164 H 4.555820 -2.274276 0.920681 H 6.896183 -1.548637 0.584067 H 7.289161 0.034044 -0.033173