%chk=000152655.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000152655 0 1 O 0.7872000 -1.765800 0.3367000 O 2.913800 -0.8252000 -0.2961000 N -4.082600 -0.4857000 0.3333000 C -1.678500 -0.1999000 0.8406000 C -2.828600 9.7499996E-02 -0.1527000 C -0.3659000 0.3830000 0.4517000 C 0.7420000 -0.4096000 0.2315000 C 1.956400 0.1274000 -0.1297000 C -0.2169000 1.763200 0.2958000 C -2.547100 -0.4614000 -1.547600 C 2.130100 1.486700 -0.2905000 C 1.024000 2.311800 -7.3299997E-02 C 2.166100 -2.022100 3.9999999E-04 H -1.593800 -1.286400 0.9739000 H -1.942200 0.1953000 1.831600 H -2.979700 1.179500 -0.2388000 H -1.054600 2.434700 0.4656000 H -3.397200 -0.2871000 -2.217400 H -2.358200 -1.540500 -1.517700 H -1.676300 2.1800000E-02 -2.002300 H 3.088600 1.905900 -0.5744000 H 1.122300 3.387800 -0.1882000 H 2.197000 -2.681100 -0.8748000 H 2.643500 -2.534300 0.8437000 H -4.277300 -0.1398000 1.272400 H -3.980800 -1.496300 0.4220000 %chk=000152655-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000152655 0 1 O 0.730471 -1.729735 0.142481 O 2.861869 -0.825326 -0.501917 N -4.161002 -0.405935 0.233460 C -1.738063 -0.074828 0.932682 C -2.813804 0.007688 -0.215072 C -0.387097 0.497612 0.552944 C 0.701658 -0.306322 0.187847 C 1.952117 0.220169 -0.194431 C -0.139304 1.904576 0.507126 C -2.411482 -0.837245 -1.438623 C 2.196770 1.594343 -0.243590 C 1.109715 2.438376 0.119984 C 2.112241 -2.088307 -0.271366 H -1.637156 -1.135806 1.231124 H -2.140011 0.479767 1.804006 H -2.883370 1.068900 -0.528899 H -0.950727 2.584489 0.792724 H -3.175092 -0.739801 -2.228945 H -2.325601 -1.906686 -1.162922 H -1.435611 -0.515596 -1.840308 H 3.169483 1.993143 -0.541491 H 1.252222 3.523899 0.102917 H 2.068154 -2.657374 -1.216073 H 2.598989 -2.651123 0.544893 H -4.524969 0.136487 1.025269 H -4.239098 -1.415966 0.401883