%chk=000136252.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000136252 0 1 S -0.5327000 -2.127000 -0.9587000 S 0.5888000 -2.190900 0.7664000 F -4.671700 1.853000 0.4437000 F 4.619800 2.005400 -0.2729000 C -1.779900 -0.9270000 -0.5359000 C 1.805500 -0.9249000 0.4530000 C -2.630900 -1.156900 0.5451000 C 1.552800 0.3919000 0.8339000 C -1.905500 0.2425000 -1.285800 C 3.007100 -1.254300 -0.1722000 C -3.607500 -0.2177000 0.8763000 C 2.504100 1.382100 0.5889000 C -2.882100 1.181900 -0.9546000 C 3.958400 -0.2640000 -0.4170000 C -3.733100 0.9516000 0.1264000 C 3.706800 1.054200 -3.6400001E-02 H -2.560300 -2.065000 1.138900 H 0.6219000 0.6670000 1.323600 H -1.250500 0.4397000 -2.131000 H 3.221100 -2.276100 -0.4759000 H -4.271900 -0.3975000 1.716200 H 2.308600 2.408600 0.8847000 H -2.980200 2.092600 -1.538000 H 4.895100 -0.5186000 -0.9043000 %chk=000136252-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000136252 0 1 S -0.690122 -2.433833 -0.755422 S 0.793034 -2.286799 1.052173 F -4.586818 2.030218 0.329703 F 4.496474 2.171848 -0.585151 C -1.853190 -1.071353 -0.386975 C 1.895107 -0.931264 0.513260 C -2.972259 -1.294068 0.456384 C 1.622608 0.399606 0.923719 C -1.656363 0.199048 -0.988220 C 3.044855 -1.214210 -0.268670 C -3.894678 -0.255511 0.702531 C 2.493555 1.449310 0.558567 C -2.573454 1.247254 -0.754381 C 3.923770 -0.175739 -0.641841 C -3.669614 0.991000 0.088404 C 3.622933 1.132138 -0.217271 H -3.115280 -2.277123 0.914545 H 0.734976 0.606009 1.529246 H -0.791482 0.359100 -1.638832 H 3.245709 -2.243735 -0.579316 H -4.766261 -0.400516 1.346855 H 2.309560 2.482376 0.866292 H -2.447665 2.233372 -1.209985 H 4.818307 -0.366526 -1.241212