%chk=000124759.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124759 1 1 N 2.251600 8.2000000E-03 -2.1500001E-02 C -0.2008000 0.3638000 0.1389000 C 1.201400 0.7324000 0.2515000 C -1.154100 1.332800 -0.1739000 C -0.5925000 -0.9591000 0.3440000 C 3.621400 0.5724000 0.1613000 C 2.200100 -1.372500 -0.5788000 C -2.499100 0.9790000 -0.2815000 C -1.937400 -1.313000 0.2363000 C -2.890700 -0.3439000 -7.6399997E-02 H 1.399700 1.772400 0.5669000 H -0.8625000 2.367100 -0.3374000 H 8.8600002E-02 -1.735700 0.6683000 H 3.567100 1.532500 0.6815000 H 4.067800 0.7046000 -0.8276000 H 4.202800 -0.1361000 0.7574000 H 3.123300 -1.548000 -1.140900 H 1.369200 -1.469800 -1.280700 H 2.155100 -2.082700 0.2496000 H -3.241500 1.733700 -0.5242000 H -2.245800 -2.339200 0.4142000 H -3.938400 -0.6186000 -0.1559000 %chk=000124759-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000124759 1 1 N 2.310064 -0.007385 -0.067113 C -0.210630 0.257078 0.039777 C 1.174790 0.679667 0.069255 C -1.162049 1.332349 -0.011182 C -0.701138 -1.090758 0.084479 C 3.626229 0.684150 0.052428 C 2.397702 -1.463410 -0.355422 C -2.541802 1.074103 -0.053243 C -2.083785 -1.337353 0.057234 C -3.006483 -0.263223 -0.021534 H 1.328173 1.756616 0.216303 H -0.806541 2.369633 -0.027075 H -0.026874 -1.943145 0.176839 H 3.485075 1.744496 0.308583 H 4.169922 0.607127 -0.904508 H 4.221973 0.198435 0.843792 H 3.412964 -1.690949 -0.711168 H 1.676786 -1.742679 -1.139736 H 2.206809 -2.051929 0.558849 H -3.253221 1.903326 -0.102403 H -2.451266 -2.366806 0.103372 H -4.081396 -0.469045 -0.046427