%chk=000121706.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000121706 0 1 O 1.300700 -2.074600 0.2082000 N 1.788500 0.6855000 -3.8500000E-02 C 0.4752000 0.1676000 -9.4999997E-03 C -0.6080000 1.041200 -0.1052000 C -1.910500 0.5427000 -7.7399999E-02 C 0.2560000 -1.204300 0.1141000 C -2.129800 -0.8293000 4.6100002E-02 C -1.046500 -1.702700 0.1419000 C 2.224800 1.631800 0.9678000 C 2.718600 0.2659000 -1.066700 C -3.069000 1.476200 -0.1808000 H -0.4425000 2.111400 -0.2060000 H -3.139700 -1.230000 7.0600003E-02 H -1.232100 -2.769200 0.2380000 H 3.317800 1.697900 1.002500 H 1.884700 1.329800 1.964500 H 1.835100 2.632000 0.7523000 H 2.199300 -4.3499999E-02 -1.980800 H 3.333200 -0.5680000 -0.7129000 H 3.390200 1.087400 -1.339700 H -2.830200 2.329200 -0.8253000 H -3.941900 0.9795000 -0.6178000 H -3.340000 1.849700 0.8116000 H 0.9543000 -2.980000 0.2857000 %chk=000121706-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000121706 0 1 O 1.279768 -2.249075 -0.133657 N 1.858613 0.534162 0.196554 C 0.528929 0.076943 0.040827 C -0.578471 0.973532 0.107521 C -1.928052 0.549759 0.020769 C 0.213056 -1.313859 -0.125117 C -2.194688 -0.824779 -0.169068 C -1.121943 -1.743022 -0.243996 C 2.070322 1.905964 0.674679 C 2.933057 0.040373 -0.689316 C -3.058523 1.560151 0.136673 H -0.380926 2.044806 0.217373 H -3.226665 -1.182105 -0.254664 H -1.329283 -2.814332 -0.377605 H 3.125266 2.012070 0.984227 H 1.433576 2.110892 1.552766 H 1.864415 2.685289 -0.096953 H 2.792080 -1.028987 -0.894545 H 3.909970 0.175156 -0.189698 H 2.957362 0.595058 -1.655462 H -2.816545 2.503202 -0.386759 H -3.995978 1.165864 -0.293316 H -3.262257 1.817004 1.194837 H 0.915119 -3.167867 -0.173369