%chk=000069853.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000069853 0 1 N 1.652700 7.0000002E-03 9.9999997E-05 C 0.2383000 2.0999999E-03 -6.0000003E-04 C -0.4633000 1.207600 -1.9000000E-03 C -0.4548000 -1.208200 1.1000000E-03 C -1.858200 1.202800 -1.3000000E-03 C -1.849700 -1.213200 1.5000000E-03 C 0.2518000 2.519600 -2.6000000E-03 C 0.2693000 -2.515400 2.4999999E-03 C -2.551400 -7.6000001E-03 3.0000001E-04 C 2.382100 1.0500000E-02 1.250300 C 2.383300 -5.2999998E-03 -1.249400 H -2.421000 2.132600 -2.4999999E-03 H -2.406000 -2.146900 3.4000000E-03 H 0.9237000 2.599500 0.8577000 H 0.8254000 2.644200 -0.9263000 H -0.4469000 3.361400 6.0300000E-02 H -0.4233000 -3.361400 -6.9799997E-02 H 0.9487000 -2.588100 -0.8524000 H 0.8358000 -2.639900 0.9306000 H -3.637500 -1.1400000E-02 6.9999998E-04 H 1.829300 0.5298000 2.040800 H 3.346600 0.5174000 1.137800 H 2.574300 -1.014400 1.582600 H 2.580100 1.017700 -1.585000 H 1.829000 -0.5246000 -2.039000 H 3.345500 -0.5159000 -1.134200 %chk=000069853-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000069853 0 1 N 1.663070 0.093314 0.057790 C 0.232776 0.031882 0.017276 C -0.510647 1.240715 -0.195276 C -0.462417 -1.209125 0.198806 C -1.925134 1.186969 -0.220186 C -1.878936 -1.213214 0.196339 C 0.195864 2.576046 -0.344399 C 0.285592 -2.525980 0.331225 C -2.613955 -0.027663 -0.015996 C 2.426147 -0.466736 1.173691 C 2.437873 0.446643 -1.134934 H -2.489036 2.115558 -0.373295 H -2.407051 -2.165044 0.334119 H 1.099709 2.607286 0.290038 H 0.527128 2.763595 -1.384997 H -0.472025 3.407823 -0.060398 H -0.388790 -3.375740 0.127787 H 1.129335 -2.575598 -0.380851 H 0.708672 -2.676012 1.342972 H -3.709350 -0.050522 -0.024389 H 1.774962 -0.576122 2.056730 H 3.251515 0.223899 1.448310 H 2.885602 -1.458775 0.955566 H 3.214143 1.208278 -0.907494 H 1.772302 0.856461 -1.911169 H 2.956451 -0.438036 -1.572566