%chk=000107349.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107349 0 1 C 1.252100 0.3670000 -2.3000001E-03 C 0.5399000 -0.5484000 1.045100 C 0.4966000 -0.5104000 -1.056800 C 0.7053000 -1.672600 -2.8100001E-02 C -0.9302000 -0.1573000 1.287100 C -0.9410000 -0.1233000 -1.192400 C 0.8086000 1.822200 3.2600001E-02 C 2.767300 0.3415000 -2.7799999E-02 C -1.627400 4.6500001E-02 -4.6500001E-02 C -3.071100 0.4349000 -1.0900000E-02 H 1.086200 -0.7183000 1.978400 H 0.9927000 -0.6422000 -2.022600 H -5.4800000E-02 -2.461500 -1.9600000E-02 H 1.681800 -2.167000 -5.9200000E-02 H -0.9894000 0.7509000 1.897100 H -1.432600 -0.9593000 1.840600 H -1.383100 8.6000003E-03 -2.172200 H 1.194500 2.354100 -0.8464000 H 1.230800 2.321700 0.9139000 H -0.2588000 2.036900 6.0199998E-02 H 3.183200 0.8316000 0.8599000 H 3.153600 0.8652000 -0.9097000 H 3.184900 -0.6689000 -5.4099999E-02 H -3.658600 -0.3335000 0.5014000 H -3.486400 0.5597000 -1.016300 H -3.196000 1.382300 0.5229000 %chk=000107349-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000107349 0 1 C 1.249880 0.446776 -0.003128 C 0.569094 -0.528014 1.053870 C 0.538023 -0.485877 -1.092263 C 0.644732 -1.655860 -0.037888 C -0.920362 -0.153997 1.280567 C -0.939648 -0.128085 -1.198892 C 0.904972 1.944502 0.038502 C 2.789593 0.297819 -0.025246 C -1.661927 0.011932 -0.050408 C -3.137791 0.335749 -0.004510 H 1.099883 -0.685435 2.009789 H 1.032829 -0.600573 -2.070558 H -0.173379 -2.394038 -0.053261 H 1.614779 -2.177648 -0.051331 H -0.998805 0.785444 1.869061 H -1.416874 -0.937209 1.892248 H -1.405982 -0.006515 -2.185024 H 1.356056 2.468092 -0.826463 H 1.311453 2.408954 0.957938 H -0.181140 2.126381 0.008451 H 3.234145 0.761544 0.876776 H 3.213228 0.813873 -0.908292 H 3.124190 -0.752988 -0.059379 H -3.705382 -0.452352 0.530367 H -3.565940 0.435392 -1.017490 H -3.327526 1.282533 0.540863