%chk=000164845.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000164845 0 1 N -1.671800 1.369600 0.000000 N -1.143500 -0.7869000 -1.9999999E-04 N -3.461300 -0.1586000 1.9999999E-04 N -3.777700 -1.386800 1.9999999E-04 N -4.033300 -2.499200 0.000000 C -0.3007000 1.328500 0.000000 C 8.3999997E-03 -2.8600000E-02 -1.9999999E-04 C 1.370900 -0.4226000 0.000000 C 2.372800 0.5815000 1.9999999E-04 C 0.6618000 2.336900 9.9999997E-05 C 2.003400 1.937000 1.9999999E-04 C -2.128600 8.2099997E-02 0.000000 C 1.726300 -1.784400 -9.9999997E-05 C -2.479700 2.569300 -3.9999999E-04 C 3.718700 0.1835000 9.9999997E-05 C 3.071200 -2.150400 -9.9999997E-05 C 4.063100 -1.170800 -9.9999997E-05 H 0.3967000 3.388300 -2.4999999E-03 H 2.769900 2.710600 -5.0000002E-04 H 0.9666000 -2.562000 -3.0000001E-04 H -3.437100 2.370600 0.4872000 H -1.962100 3.356100 0.5535000 H -2.635600 2.871500 -1.038900 H 4.514400 0.9255000 1.9999999E-04 H 3.347300 -3.201000 -1.9999999E-04 H 5.110000 -1.461400 -9.9999997E-05 %chk=000164845-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000164845 0 1 N -1.695918 1.386467 0.005752 N -1.123813 -0.844357 0.025598 N -3.511338 -0.190933 0.038909 N -3.936385 -1.385244 0.055185 N -4.512669 -2.417294 0.070198 C -0.291803 1.331812 -0.006058 C 0.040980 -0.055124 0.007078 C 1.412358 -0.473733 0.000953 C 2.416983 0.572310 -0.018782 C 0.688840 2.361182 -0.025199 C 2.027150 1.962784 -0.031346 C -2.127520 0.055548 0.024032 C 1.811647 -1.844330 0.013378 C -2.533134 2.588532 -0.006451 C 3.797511 0.188772 -0.025352 C 3.169806 -2.182288 0.006488 C 4.169008 -1.159895 -0.013002 H 0.413568 3.420779 -0.034766 H 2.818061 2.721600 -0.046014 H 1.034490 -2.615069 0.028290 H -3.589314 2.280036 0.006594 H -2.330648 3.212464 0.882111 H -2.344362 3.184675 -0.916844 H 4.564716 0.972340 -0.040310 H 3.473114 -3.234987 0.016078 H 5.228771 -1.437746 -0.018219