%chk=000011304.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000011304 0 1 C 0.2162000 0.7076000 -9.9999997E-05 C 0.2161000 -0.7076000 0.000000 C -1.008900 1.394500 -9.9999997E-05 C -1.008900 -1.394300 0.000000 C -2.216500 0.6959000 -1.9999999E-04 C -2.216500 -0.6958000 -9.9999997E-05 C 1.441200 1.394300 -9.9999997E-05 C 1.441100 -1.394500 9.9999997E-05 C -1.080500 2.890300 3.0000001E-04 C -1.081000 -2.890100 9.9999997E-05 C 2.648900 0.6957000 -9.9999997E-05 C 2.648900 -0.6960000 0.000000 H -3.168300 1.220600 -1.9999999E-04 H -3.168300 -1.220500 0.000000 H 1.490800 2.480100 -9.9999997E-05 H 1.490600 -2.480300 9.9999997E-05 H -0.5998000 3.299000 -0.8947000 H -0.6001000 3.298400 0.8958000 H -2.115200 3.251300 1.9999999E-04 H -2.115700 -3.250800 9.9999997E-05 H -0.6006000 -3.298500 0.8955000 H -0.6004000 -3.298700 -0.8950000 H 3.589700 1.238500 -9.9999997E-05 H 3.589600 -1.238900 9.9999997E-05 %chk=000011304-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000011304 0 1 C 0.204824 0.727932 0.000065 C 0.204731 -0.727952 0.000044 C -1.047438 1.448315 0.000081 C -1.047603 -1.448182 0.000044 C -2.239709 0.714508 0.000070 C -2.239796 -0.714241 0.000045 C 1.465269 1.413500 0.000051 C 1.465100 -1.413673 0.000028 C -1.083704 2.967245 0.000134 C -1.084073 -2.967114 0.000044 C 2.676238 0.713461 0.000039 C 2.676152 -0.713783 0.000031 H -3.197521 1.248597 0.000056 H -3.197674 -1.248208 0.000027 H 1.481288 2.508329 0.000057 H 1.480976 -2.508505 0.000019 H -0.580796 3.390840 -0.890478 H -0.581001 3.390723 0.890918 H -2.125871 3.329402 0.000032 H -2.126290 -3.329120 0.000012 H -0.581351 -3.390712 0.890764 H -0.581280 -3.390719 -0.890628 H 3.626041 1.260514 0.000023 H 3.625886 -1.260955 0.000024