%chk=000064492.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000064492 0 1 N -1.093200 -1.489000 -0.8314000 N 3.003100 -0.8236000 0.3407000 N 5.089700 1.100100 -0.2104000 C -2.142100 -0.5744000 -0.3861000 C -4.511200 0.2123000 -0.8069000 C -3.621600 0.1137000 1.549500 C -2.756200 1.857700 -5.2400000E-02 C -3.403100 -0.7538000 -1.260200 C -2.517200 -0.8520000 1.086600 C -1.654700 0.8855000 -0.5089000 C -4.863500 -7.5900003E-02 0.6622000 C -4.002700 1.658700 -0.9313000 C -3.117600 1.560500 1.412900 C 0.1010000 -1.342900 -1.3100000E-02 C 1.210900 -2.304600 -0.4429000 C 2.471500 -2.183000 0.4152000 C 3.386500 -0.4884000 -1.036000 C 4.148000 -0.6612000 1.245100 C 3.944900 0.9367000 -1.114800 C 4.707700 0.7633000 1.166400 C 5.619600 2.460300 -0.2842000 H -5.399600 7.7100001E-02 -1.433900 H -3.880200 -9.1200002E-02 2.594500 H -2.401300 2.890500 -0.1439000 H -3.768400 -1.787500 -1.196800 H -3.167200 -0.5686000 -2.316700 H -1.679900 -0.7045000 1.776200 H -2.856300 -1.889000 1.209200 H -1.368600 1.113000 -1.544300 H -0.7848000 1.102200 0.1193000 H -5.242700 -1.100400 0.7625000 H -5.666000 0.5945000 0.9932000 H -3.762600 1.882600 -1.977900 H -4.790300 2.359600 -0.6283000 H -2.241400 1.715100 2.054500 H -3.890100 2.259400 1.756500 H -0.8635000 -1.308200 -1.808300 H 0.5131000 -0.3359000 -8.6000003E-02 H -8.6400002E-02 -1.568500 1.039200 H 1.426300 -2.208100 -1.512600 H 0.8371000 -3.331800 -0.3265000 H 3.212000 -2.923300 8.6599998E-02 H 2.211200 -2.425000 1.453400 H 2.528500 -0.5040000 -1.714400 H 4.128900 -1.199400 -1.423300 H 4.941000 -1.383200 1.007000 H 3.834000 -0.8505000 2.278800 H 4.260000 1.127600 -2.148000 H 3.151300 1.658200 -0.8764000 H 3.963200 1.473700 1.551100 H 5.586000 0.8252000 1.820400 H 6.501100 2.564600 0.3580000 H 4.880700 3.210600 1.9700000E-02 H 5.945300 2.690900 -1.304600 %chk=000064492-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000064492 0 1 N -1.114675 -1.343592 -0.613897 N 3.237804 -0.829855 0.226215 N 5.440966 1.016216 -0.191717 C -2.248604 -0.446830 -0.249745 C -4.698160 0.016167 -0.826439 C -3.918157 0.172806 1.579727 C -3.201006 1.930269 -0.103943 C -3.445750 -0.833918 -1.163944 C -2.666479 -0.677828 1.230614 C -1.949904 1.076341 -0.451064 C -5.097007 -0.231350 0.653822 C -4.377928 1.522169 -1.030893 C -3.595851 1.678890 1.377089 C 0.192815 -1.154241 0.061288 C 1.203254 -2.190526 -0.469165 C 2.564176 -2.153784 0.255832 C 3.646039 -0.412354 -1.138052 C 4.407790 -0.798542 1.139712 C 4.276708 0.989686 -1.107230 C 5.033695 0.604430 1.172223 C 6.140184 2.314260 -0.205599 H -5.532874 -0.281418 -1.491865 H -4.197226 -0.008010 2.636907 H -2.967532 3.004212 -0.249347 H -3.656792 -1.912938 -1.032279 H -3.159980 -0.681560 -2.227202 H -1.834411 -0.402535 1.908761 H -2.868892 -1.756735 1.377110 H -1.648736 1.253020 -1.505282 H -1.098762 1.382415 0.189272 H -5.348355 -1.300451 0.805027 H -6.000916 0.358188 0.908492 H -4.110592 1.713683 -2.090043 H -5.272707 2.136132 -0.803440 H -2.766226 1.982991 2.047077 H -4.477196 2.295527 1.645962 H -0.990714 -1.349458 -1.638965 H 0.625000 -0.134626 -0.058546 H 0.058596 -1.314669 1.148160 H 1.342496 -2.048813 -1.561451 H 0.768492 -3.201257 -0.344987 H 3.223863 -2.953474 -0.174279 H 2.403671 -2.412251 1.321634 H 2.756344 -0.389984 -1.792630 H 4.383139 -1.131436 -1.579206 H 5.193519 -1.532161 0.824245 H 4.069253 -1.075099 2.156152 H 4.618723 1.261576 -2.123822 H 3.493002 1.728518 -0.796414 H 4.292392 1.319896 1.613114 H 5.929045 0.594222 1.822330 H 7.033712 2.262864 0.442624 H 5.504391 3.165940 0.148971 H 6.476563 2.544977 -1.232713