%chk=000031996.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000031996 0 1 N 0.8479000 6.4400002E-02 -0.6486000 N 1.229000 0.6183000 1.655300 N 5.774700 -0.4410000 -0.2361000 C -2.742400 -0.6022000 -1.2000001E-03 C -3.294400 0.6788000 -0.2402000 C -1.357800 -0.7906000 -0.1416000 C -0.5291000 0.2686000 -0.5128000 C -2.445400 1.733700 -0.6129000 C -1.072000 1.528200 -0.7480000 C -3.591300 -1.657000 0.3718000 C -4.679000 0.8672000 -9.9900000E-02 C -4.964700 -1.452000 0.5064000 C -5.507500 -0.1924000 0.2709000 C 1.627300 0.2399000 0.3881000 C 3.091200 -3.9999999E-04 0.1677000 C 3.466700 -0.9205000 -0.7724000 C 3.988600 0.7108000 0.9162000 C 4.829800 -1.105900 -0.9380000 C 5.328300 0.4522000 0.6752000 H -0.9211000 -1.771600 3.9200000E-02 H -2.847700 2.726800 -0.8017000 H -0.4342000 2.359400 -1.037800 H -3.188900 -2.650100 0.5609000 H -5.125200 1.843300 -0.2788000 H -5.610200 -2.276300 0.7953000 H -6.576700 -3.3500001E-02 0.3760000 H 2.766200 -1.497100 -1.364300 H 3.712400 1.458800 1.648700 H 0.2557000 0.8048000 1.871100 H 1.871100 0.6670000 2.438800 H 5.209500 -1.819600 -1.661900 H 6.103100 0.9785000 1.223200 %chk=000031996-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000031996 0 1 N 0.861600 0.317114 -0.544625 N 1.262330 0.258565 1.823798 N 5.905617 -0.363940 -0.362137 C -2.771597 -0.466004 0.219449 C -3.414048 0.639467 -0.464460 C -1.342051 -0.551247 0.228272 C -0.549026 0.407349 -0.435175 C -2.586921 1.601043 -1.137618 C -1.199949 1.486314 -1.135376 C -3.595741 -1.441842 0.875621 C -4.843570 0.729835 -0.460291 C -4.988200 -1.327513 0.863902 C -5.619873 -0.232445 0.191832 C 1.664668 0.199655 0.494971 C 3.130033 0.023307 0.232298 C 3.556965 -0.367951 -1.062226 C 4.129011 0.227294 1.218868 C 4.932972 -0.548799 -1.309004 C 5.485752 0.024150 0.877417 H -0.865308 -1.407021 0.722590 H -3.066154 2.432483 -1.668434 H -0.567512 2.204432 -1.666575 H -3.114951 -2.284681 1.387119 H -5.322679 1.568347 -0.980291 H -5.605290 -2.079461 1.368291 H -6.712609 -0.155520 0.189677 H 2.806497 -0.514940 -1.843500 H 3.889675 0.570317 2.231695 H 0.278528 0.412347 2.041763 H 1.911986 0.104533 2.588962 H 5.287998 -0.855237 -2.298994 H 6.275746 0.180549 1.620779