%chk=000058165.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000058165 0 1 O -1.578900 2.323600 1.386400 N 2.417300 -2.213000 -0.2144000 N -1.148200 5.8100000E-02 0.8918000 N 4.130600 3.123300 -1.185300 C 0.6565000 -1.545400 1.395800 C 1.560100 -2.666400 0.8742000 C -0.2973000 -0.9668000 0.3524000 C 3.543200 -1.434800 0.3054000 C 2.905000 -3.351600 -0.9950000 C -2.430800 -0.3827000 1.450400 C -0.8562000 1.439700 0.9277000 C -3.508500 -0.4392000 0.4065000 C 4.408400 -0.9002000 -0.8232000 C 3.765200 -4.271600 -0.1454000 C 0.4377000 1.876000 0.3792000 C -4.300300 0.6823000 0.1601000 C -3.718300 -1.613500 -0.3164000 C 0.5443000 2.218000 -0.9690000 C 1.557700 1.947800 1.207500 C -5.301800 0.6298000 -0.8094000 C -4.719700 -1.666200 -1.285900 C -5.511500 -0.5445000 -1.532300 C 1.770700 2.631900 -1.488700 C 2.784200 2.361700 0.6878000 C 2.890600 2.703700 -0.6603000 H 5.9300002E-02 -1.961100 2.218600 H 1.252700 -0.7542000 1.858300 H 2.133500 -3.068800 1.718900 H 0.8976000 -3.472000 0.5302000 H 0.2795000 -0.5527000 -0.4795000 H -0.9068000 -1.767000 -7.8000002E-02 H 3.158300 -0.5592000 0.8355000 H 4.156300 -1.970600 1.038600 H 2.048200 -3.918100 -1.382700 H 3.446600 -3.034000 -1.892200 H -2.733800 0.3043000 2.250500 H -2.299700 -1.360000 1.931000 H 5.033600 -1.674700 -1.277300 H 3.806000 -0.4269000 -1.606200 H 5.090200 -0.1366000 -0.4317000 H 4.711300 -3.819200 0.1639000 H 3.251100 -4.664100 0.7362000 H 4.036900 -5.146600 -0.7487000 H -4.153100 1.602900 0.7178000 H -3.119000 -2.500000 -0.1289000 H -0.3223000 2.164800 -1.622900 H 1.485300 1.689500 2.260700 H -5.919200 1.502600 -1.000500 H -4.884900 -2.581300 -1.846900 H 1.841000 2.895400 -2.540900 H 3.649600 2.413400 1.343600 H -6.291900 -0.5858000 -2.286500 H 4.944600 3.167600 -0.5868000 H 4.210000 3.365500 -2.163900 %chk=000058165-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000058165 0 1 O -1.115087 2.139571 2.216795 N 2.300960 -2.346091 -0.277016 N -1.074984 0.183740 0.940714 N 4.137194 3.666728 -1.165472 C 0.454280 -1.776501 1.367630 C 1.323072 -2.873556 0.708569 C -0.282102 -0.906714 0.320261 C 3.388688 -1.550918 0.351561 C 2.757481 -3.375120 -1.247821 C -2.388676 -0.207425 1.506383 C -0.544723 1.422910 1.324180 C -3.434582 -0.474161 0.428861 C 4.289185 -0.830501 -0.668650 C 3.646358 -4.518178 -0.681920 C 0.696003 1.923622 0.640658 C -3.673281 0.485092 -0.589129 C -4.205763 -1.662093 0.441267 C 0.882848 1.879967 -0.766683 C 1.666729 2.603157 1.422684 C -4.664297 0.261866 -1.568917 C -5.201369 -1.888721 -0.538054 C -5.433121 -0.926903 -1.547051 C 2.009797 2.465455 -1.370299 C 2.810304 3.170552 0.836780 C 3.005221 3.106247 -0.575256 H -0.268876 -2.276452 2.042254 H 1.072070 -1.117065 2.006407 H 1.815472 -3.464676 1.522703 H 0.657082 -3.574655 0.166486 H 0.469304 -0.503149 -0.370831 H -0.971553 -1.532643 -0.278143 H 2.913283 -0.781780 0.986925 H 4.020756 -2.177627 1.032785 H 1.851463 -3.814657 -1.708661 H 3.301562 -2.864429 -2.063526 H -2.697569 0.629383 2.160127 H -2.275545 -1.103639 2.147422 H 4.904155 -1.533740 -1.258717 H 3.671970 -0.231263 -1.361080 H 4.976814 -0.144659 -0.141099 H 4.580618 -4.124394 -0.241783 H 3.118006 -5.096720 0.097583 H 3.924407 -5.218141 -1.491871 H -3.079196 1.406426 -0.604827 H -4.028396 -2.412519 1.222665 H 0.119642 1.417816 -1.403453 H 1.498456 2.691740 2.501282 H -4.842495 1.013551 -2.346586 H -5.790747 -2.812605 -0.514987 H 2.121483 2.436596 -2.461207 H 3.552560 3.679738 1.463912 H -6.203282 -1.099846 -2.307305 H 4.831149 4.151522 -0.604123 H 4.268174 3.638964 -2.172326