%chk=000105089.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000105089 0 1 O -1.034100 1.638500 0.7066000 O -1.916200 0.5066000 -1.051000 N 1.766800 0.3937000 0.1833000 N -1.232800 -1.853800 0.1762000 C -0.4420000 -0.6670000 0.4986000 C 0.9643000 -0.7938000 -0.1004000 C -1.213500 0.5221000 -4.8999999E-02 C 3.107500 0.2537000 -0.3644000 H -0.3899000 -0.5804000 1.590800 H 0.8872000 -0.9235000 -1.187900 H 1.455100 -1.685800 0.3098000 H 1.825900 0.5322000 1.191900 H -2.128600 -1.811800 0.6614000 H -0.7602000 -2.686000 0.5271000 H 3.636500 -0.5972000 7.7200003E-02 H 3.685600 1.157300 -0.1474000 H 3.081800 0.1344000 -1.452400 H -1.531100 2.405000 0.3490000 %chk=000105089-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000105089 0 1 O -2.005400 1.221720 0.618810 O -0.677749 1.064973 -1.279832 N 1.990834 0.107007 0.416062 N -1.325477 -1.672882 0.435382 C -0.380011 -0.552570 0.609256 C 1.000279 -0.904558 0.019565 C -0.971405 0.645356 -0.144801 C 3.150761 0.266708 -0.477107 H -0.246103 -0.240997 1.671973 H 0.917883 -0.902504 -1.081526 H 1.267729 -1.947197 0.329836 H 2.250757 0.042890 1.407250 H -2.238945 -1.537960 0.874324 H -0.921358 -2.598439 0.595854 H 3.771801 -0.653192 -0.605213 H 3.805317 1.068443 -0.091017 H 2.797330 0.577738 -1.476701 H -2.423942 1.959661 0.097284