%chk=000066969.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000066969 0 1 O -0.5189000 9.8200001E-02 0.5101000 N 2.771000 -1.268300 -0.3064000 C -1.879400 0.1635000 9.3500003E-02 C 0.2532000 1.136300 -7.5400002E-02 C -1.946800 2.4599999E-02 -1.419700 C -2.671900 -0.9266000 0.7987000 C 1.696600 1.028000 0.3963000 C 2.296200 -0.2557000 2.9000000E-03 H -2.300100 1.131600 0.3934000 H 0.2641000 1.067300 -1.167400 H -0.1537000 2.111200 0.2171000 H -2.969100 -0.1998000 -1.743600 H -1.664900 0.9514000 -1.929600 H -1.288700 -0.7731000 -1.781200 H -3.730900 -0.8925000 0.5253000 H -2.587700 -0.8167000 1.885300 H -2.276500 -1.918000 0.5515000 H 1.730200 1.109700 1.489000 H 2.283400 1.855900 -1.6100001E-02 %chk=000066969-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000066969 0 1 O -0.509792 0.102952 0.412160 N 2.970647 -1.106640 -0.572867 C -1.932149 0.170776 -0.012313 C 0.315464 1.213351 -0.048778 C -2.086847 -0.099584 -1.522009 C -2.652836 -0.871519 0.850264 C 1.727984 0.981305 0.525050 C 2.409881 -0.177834 -0.077170 H -2.318412 1.189012 0.226584 H 0.356136 1.267089 -1.156268 H -0.077691 2.180708 0.337189 H -3.157410 -0.114889 -1.797410 H -1.595698 0.674171 -2.139106 H -1.645916 -1.079714 -1.776193 H -3.734163 -0.882789 0.624145 H -2.516191 -0.647840 1.921908 H -2.240173 -1.876423 0.651885 H 1.644564 0.822296 1.615805 H 2.348701 1.882572 0.360823