%chk=000036885.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000036885 1 1 O -1.922500 -0.1195000 0.1171000 N 0.2424000 -0.9115000 -0.2645000 N 1.879600 -1.854600 0.7899000 C -3.225400 0.1064000 -0.4029000 C 1.282900 -5.5999998E-03 -0.2833000 C -1.067400 -0.7125000 -0.8540000 C -4.084500 0.7783000 0.6702000 C 2.339900 -0.6145000 0.3975000 C 0.6163000 -2.018900 0.3848000 C -3.822100 -1.227500 -0.8313000 C 1.381100 1.268900 -0.8291000 C 3.568800 8.6000003E-03 0.5799000 C -3.488200 2.096900 1.144700 C 2.615600 1.910400 -0.6534000 C 3.683400 1.295300 3.4499999E-02 H -3.159700 0.7771000 -1.269300 H -0.9855000 -7.7900000E-02 -1.742800 H -1.414000 -1.705500 -1.155700 H -5.094400 0.9575000 0.2836000 H -4.176700 0.1157000 1.539600 H 1.1800000E-02 -2.894400 0.5576000 H 2.418500 -2.541700 1.309900 H -3.647000 -2.007200 -8.1900001E-02 H -4.902500 -1.137400 -0.9889000 H -3.405400 -1.575400 -1.782000 H 0.5587000 1.738300 -1.353300 H 4.379800 -0.4742000 1.109600 H -3.365800 2.793800 0.3094000 H -2.511500 1.948600 1.616000 H -4.148100 2.564400 1.882500 H 2.755000 2.910800 -1.057300 H 4.621100 1.835600 0.1442000 %chk=000036885-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000036885 1 1 O -1.908739 -0.508454 0.086487 N 0.267348 -1.254008 -0.342239 N 2.147350 -1.991698 0.571728 C -3.195623 0.052463 -0.470869 C 1.114555 -0.124357 -0.194804 C -1.116098 -1.232088 -0.868499 C -3.723304 1.003536 0.612784 C 2.328713 -0.601632 0.382434 C 0.909354 -2.350402 0.138029 C -4.172768 -1.079676 -0.821571 C 0.928049 1.237328 -0.505086 C 3.413308 0.254647 0.657479 C -2.810505 2.218412 0.875646 C 2.012335 2.094368 -0.233869 C 3.230663 1.613474 0.333465 H -2.928458 0.631150 -1.385418 H -1.103202 -0.735199 -1.862483 H -1.436765 -2.286189 -0.994316 H -4.725812 1.347644 0.293755 H -3.867579 0.423455 1.544112 H 0.495565 -3.354491 0.171842 H 2.830674 -2.635675 0.973805 H -4.403733 -1.684262 0.073004 H -5.118756 -0.652034 -1.198589 H -3.782821 -1.749274 -1.610449 H -0.011712 1.616207 -0.913343 H 4.346823 -0.105125 1.098982 H -2.693324 2.836572 -0.035407 H -1.810264 1.895342 1.213546 H -3.239654 2.865522 1.660048 H 1.916787 3.161291 -0.455952 H 4.041791 2.321453 0.527048