%chk=000053172.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000053172 0 1 O -5.088600 1.666800 -0.4545000 O 5.319600 1.509000 -0.3198000 N -3.010400 0.5676000 -0.3646000 N 3.510500 6.6299997E-02 0.1060000 C -1.339400 -0.7283000 0.8227000 C 1.142200 -0.3340000 0.4405000 C -0.2410000 0.3174000 0.5826000 C -1.332400 -1.792000 -0.2824000 C 1.133500 -1.400600 -0.6619000 C 4.1200001E-02 -2.440800 -0.4295000 C -2.709500 -5.9200000E-02 0.9173000 C 2.209400 0.7226000 0.1594000 C -4.049600 1.117000 -0.4088000 C 4.414500 0.7883000 -0.1070000 H -1.138500 -1.223600 1.782200 H 1.387300 -0.8297000 1.390400 H -0.4550000 0.8989000 -0.3233000 H -0.2259000 1.029600 1.417200 H -1.610500 -1.355700 -1.249500 H -2.075200 -2.567300 -5.9200000E-02 H 2.098000 -1.918900 -0.7107000 H 0.9774000 -0.9268000 -1.639700 H 0.2717000 -3.017200 0.4748000 H 2.5100000E-02 -3.150800 -1.264200 H -2.701100 0.6844000 1.725900 H -3.466900 -0.8145000 1.168400 H 2.193300 1.477300 0.9577000 H 1.991400 1.234500 -0.7883000 %chk=000053172-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000053172 0 1 O -4.941134 1.777016 -1.228851 O 5.876601 0.717753 -0.256197 N -3.246884 0.510972 -0.020691 N 3.476294 0.417365 0.027410 C -1.338625 -0.781369 0.900698 C 1.117189 -0.243290 0.400089 C -0.301400 0.334185 0.625705 C -1.333700 -1.834676 -0.234791 C 1.107618 -1.288450 -0.741572 C 0.082098 -2.411243 -0.467705 C -2.750800 -0.200360 1.144470 C 2.113756 0.905355 0.126516 C -4.136429 1.138382 -0.566476 C 4.664000 0.638836 -0.121634 H -1.055622 -1.292011 1.847328 H 1.444278 -0.755082 1.330427 H -0.620512 0.901229 -0.273287 H -0.291403 1.051047 1.473059 H -1.696245 -1.354681 -1.166034 H -2.044055 -2.650854 0.005033 H 2.121831 -1.711318 -0.866279 H 0.848411 -0.778847 -1.694165 H 0.398926 -2.988735 0.425536 H 0.065454 -3.122199 -1.315523 H -2.723458 0.493249 2.009652 H -3.450165 -1.023569 1.395363 H 2.050265 1.654819 0.941776 H 1.834809 1.416776 -0.818157