%chk=000108831.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108831 0 1 O -0.2123000 -0.3872000 -0.1648000 O 1.238500 1.387500 8.6400002E-02 N 3.377300 -0.2981000 0.1469000 C 2.060200 -0.9029000 2.3000001E-03 C -1.317800 0.5214000 -0.2001000 C 1.019000 0.1883000 -1.5900001E-02 C -2.577500 -0.2619000 -0.3659000 C -3.587300 -0.2471000 0.5111000 H 2.014100 -1.454100 -0.9413000 H 1.865200 -1.577300 0.8412000 H -1.332900 1.110900 0.7243000 H -1.203000 1.198900 -1.053900 H -2.671300 -0.8746000 -1.258700 H 4.084700 -1.031800 0.1608000 H 3.441200 0.1713000 1.049700 H -4.478800 -0.8381000 0.3319000 H -3.544700 0.3485000 1.416200 %chk=000108831-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108831 0 1 O -0.211176 -0.454072 0.076372 O 1.303220 1.324507 0.100168 N 3.440252 -0.433145 -0.127895 C 2.124894 -1.003098 0.144420 C -1.348964 0.529030 0.069848 C 1.068846 0.093873 0.098987 C -2.571769 -0.208640 -0.395293 C -3.743484 -0.232274 0.286133 H 1.838189 -1.776085 -0.595845 H 2.025077 -1.485743 1.147172 H -1.466074 0.934638 1.090383 H -1.069834 1.357353 -0.608790 H -2.479172 -0.721427 -1.362060 H 4.245636 -0.968549 0.191567 H 3.500199 0.578415 0.007701 H -4.625430 -0.746617 -0.109996 H -3.855809 0.265533 1.257326