%chk=000107480.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107480 0 1 O 2.910200 2.387600 -0.1964000 O 3.682500 -1.685300 -0.2256000 O 4.408300 0.4135000 0.4104000 N -0.2268000 -0.2090000 -8.2000000E-03 C 1.133100 -0.6446000 0.3485000 C 2.192000 9.8700002E-02 -0.4720000 C -0.4026000 1.222700 0.2774000 C 0.5617000 2.074100 -0.5419000 C 1.981700 1.595800 -0.3473000 C -1.220900 -0.9980000 0.7203000 C 3.556000 -0.3407000 -3.8899999E-02 C -2.624100 -0.6240000 0.3391000 C -3.283700 0.3777000 1.041700 C -3.250000 -1.283300 -0.7123000 C -4.587600 0.7249000 0.6879000 C -4.553800 -0.9361000 -1.066200 C -5.222500 6.8000004E-02 -0.3660000 C 4.946600 -2.242000 0.1493000 H 1.219600 -1.721500 0.1551000 H 1.316000 -0.5008000 1.422900 H 2.091900 -0.1365000 -1.539900 H -0.2642000 1.429800 1.347000 H -1.389700 1.585900 -1.7000001E-02 H 0.4914000 3.121600 -0.2299000 H 0.3286000 2.017600 -1.611200 H -1.095000 -0.8948000 1.807400 H -1.077500 -2.066100 0.5078000 H -2.809900 0.8876000 1.876100 H -2.738500 -2.065700 -1.266100 H -5.109700 1.504100 1.235400 H -5.048300 -1.447200 -1.887100 H -6.238000 0.3379000 -0.6409000 H 5.748400 -1.796500 -0.4471000 H 4.917000 -3.316600 -4.9199998E-02 H 5.126700 -2.086800 1.217300 %chk=000107480-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000107480 0 1 O 3.209693 1.653143 -0.700242 O 4.151550 -1.426339 -0.837466 O 3.826464 -0.985392 1.428021 N -0.326306 -0.103480 0.418483 C 0.969133 -0.634778 0.892287 C 2.051212 -0.469486 -0.214436 C -0.253352 1.349217 0.143733 C 0.776902 1.632027 -0.979532 C 2.129841 1.014275 -0.649629 C -1.460994 -0.476773 1.298832 C 3.407968 -0.973941 0.248879 C -2.821439 -0.276336 0.636445 C -3.922987 0.201404 1.387583 C -3.015881 -0.613276 -0.727161 C -5.199649 0.332104 0.792991 C -4.287950 -0.478955 -1.325208 C -5.386096 -0.008290 -0.566223 C 5.547326 -1.830097 -0.535994 H 0.852018 -1.708831 1.123210 H 1.333503 -0.133251 1.820645 H 1.731135 -1.045262 -1.103653 H 0.031845 1.926115 1.059604 H -1.249892 1.700254 -0.174129 H 0.906662 2.715949 -1.137621 H 0.400197 1.177801 -1.916907 H -1.439289 0.078555 2.269822 H -1.335262 -1.549409 1.549150 H -3.782331 0.473527 2.441491 H -2.156108 -0.969061 -1.305980 H -6.042938 0.702842 1.386668 H -4.425735 -0.742396 -2.380261 H -6.373707 0.094828 -1.029743 H 6.104281 -0.970918 -0.127283 H 5.961816 -2.148914 -1.502229 H 5.557268 -2.654856 0.196251