%chk=000056728.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000056728 0 1 O -4.455200 1.261900 -0.6584000 N 1.471300 -1.999000 -0.1278000 N -3.748400 0.6641000 0.4555000 C -1.486400 -0.1906000 1.018700 C -0.1696000 -0.6651000 0.5468000 C -2.487900 0.1747000 -0.1107000 C 0.9747000 0.1375000 0.2795000 C 1.990000 -0.7238000 -0.1421000 C 0.1669000 -1.973600 0.2870000 C -2.797800 -1.020100 -1.012800 C 1.245000 1.518300 0.3562000 C 3.267200 -0.2715000 -0.4923000 C 2.518000 1.985100 8.8999998E-03 C 3.512000 1.102100 -0.4085000 H -1.935500 -0.9596000 1.663000 H -1.344000 0.6855000 1.665600 H -2.033400 0.9656000 -0.7231000 H -0.4025000 -2.889800 0.3601000 H 1.980700 -2.832700 -0.3863000 H -3.537700 -0.7733000 -1.782400 H -3.185800 -1.867300 -0.4359000 H -1.904600 -1.355000 -1.549400 H 0.4815000 2.220600 0.6782000 H 4.041700 -0.9580000 -0.8173000 H -3.571100 1.484500 1.033900 H 2.732200 3.049000 6.5600000E-02 H 4.493800 1.486400 -0.6735000 H -5.320800 0.8330000 -0.5482000 %chk=000056728-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000056728 0 1 O -4.413325 1.553480 -0.457705 N 1.633691 -2.109178 0.077701 N -3.682105 0.695950 0.545975 C -1.562647 -0.402669 1.055790 C -0.180486 -0.821535 0.623469 C -2.419207 0.204625 -0.096383 C 0.922764 0.054603 0.256546 C 2.047212 -0.781244 -0.080261 C 0.295495 -2.126994 0.502828 C -2.756612 -0.822217 -1.186341 C 1.074854 1.466098 0.189069 C 3.294360 -0.250842 -0.478751 C 2.316147 2.001781 -0.205029 C 3.413807 1.152602 -0.537203 H -2.114745 -1.263730 1.476855 H -1.479567 0.350237 1.869703 H -1.860120 1.049284 -0.557860 H -0.220959 -3.066545 0.692545 H 2.213509 -2.930358 -0.077664 H -3.340191 -0.347591 -1.993870 H -3.350983 -1.651758 -0.759161 H -1.831001 -1.235915 -1.622702 H 0.241232 2.131593 0.441246 H 4.141169 -0.898413 -0.733073 H -3.433859 1.388208 1.280073 H 2.446490 3.088287 -0.260558 H 4.366457 1.599827 -0.842490 H -5.267080 1.061314 -0.572448