%chk=000082411.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000082411 0 1 O 7.9800002E-02 0.3606000 0.8073000 O 1.320700 2.173500 0.1164000 N 1.790800 -2.582700 0.2685000 C -1.163900 1.028900 0.6063000 C -1.434000 1.180900 -0.8915000 C -2.267500 0.2294000 1.299200 C -1.687000 -0.1656000 -1.570200 C -2.521700 -1.115000 0.6161000 C -2.799500 -0.9450000 -0.8747000 C 1.178500 0.9689000 0.2718000 C 2.192300 -5.6100000E-02 -0.1025000 C 3.339300 0.3707000 -0.6489000 C 1.972100 -1.448500 0.1022000 H -1.105900 2.017400 1.078800 H -0.6182000 1.687700 -1.416000 H -2.323000 1.810900 -1.024600 H -3.195700 0.8138000 1.299200 H -1.994300 4.4399999E-02 2.344700 H -0.7671000 -0.7617000 -1.571300 H -1.957900 -7.9999998E-04 -2.619400 H -3.371900 -1.614500 1.094400 H -1.651800 -1.768900 0.7531000 H -3.752500 -0.4188000 -1.009900 H -2.909100 -1.929100 -1.344000 H 3.546100 1.421900 -0.8225000 H 4.117500 -0.3278000 -0.9439000 %chk=000082411-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000082411 0 1 O 0.132016 0.197990 0.310656 O 1.403076 2.126038 -0.071974 N 2.036698 -2.653436 0.298596 C -1.152518 1.004474 0.380696 C -1.689122 1.206024 -1.050159 C -2.100155 0.181590 1.265369 C -2.111176 -0.128652 -1.709271 C -2.519109 -1.148849 0.594178 C -3.108543 -0.906803 -0.816770 C 1.304309 0.884054 0.072770 C 2.475956 -0.068490 0.019010 C 3.730228 0.432083 -0.179525 C 2.231912 -1.480218 0.174169 H -0.890551 1.975653 0.840112 H -0.934299 1.736516 -1.659168 H -2.568625 1.878078 -0.974234 H -2.997952 0.805335 1.452975 H -1.621456 -0.005342 2.244241 H -1.212171 -0.753027 -1.878085 H -2.556196 0.074331 -2.701918 H -3.254108 -1.671222 1.235402 H -1.632483 -1.806449 0.513500 H -4.052940 -0.329050 -0.729815 H -3.366495 -1.873083 -1.290388 H 3.860421 1.513836 -0.294510 H 4.609383 -0.216883 -0.227257