%chk=000135884.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000135884 0 1 O -2.301700 -0.2965000 0.1108000 O -1.576700 1.873600 -0.1830000 N 1.428000 0.8447000 -0.5495000 N 0.5215000 -1.354200 -0.4706000 C 0.9248000 -0.2040000 0.3331000 C 1.873900 1.993500 0.2240000 C 2.859600 1.025600 -0.3621000 C 4.1999999E-02 -2.430800 0.3826000 C 1.410600 -2.480800 -0.2309000 C -0.2791000 0.2955000 1.142300 C -1.436200 0.7478000 0.2746000 C -3.466600 -1.4400000E-02 -0.6713000 H 1.667700 -0.4811000 1.097900 H 1.826100 2.016700 1.304700 H 1.760900 2.954900 -0.2601000 H 3.409000 1.337800 -1.241400 H 3.409200 0.3745000 0.3048000 H -0.7266000 -3.060400 -4.7100000E-02 H 2.3200000E-02 -2.359900 1.462000 H 2.273800 -2.367400 0.4117000 H 1.560200 -3.144100 -1.073600 H -0.6534000 -0.4399000 1.863800 H -2.5800001E-02 1.146000 1.786300 H -4.068800 -0.9253000 -0.7247000 H -3.179500 0.2767000 -1.686300 H -4.060400 0.7722000 -0.1961000 %chk=000135884-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000135884 0 1 O -2.499325 -0.217224 0.098635 O -1.727864 1.967379 -0.136081 N 1.290794 0.858120 -0.347225 N 0.430550 -1.379397 -0.205502 C 0.767210 -0.168680 0.585688 C 2.094048 1.965598 0.281449 C 2.784709 0.891919 -0.546946 C 0.357969 -2.665405 0.575540 C 1.529078 -2.401171 -0.359417 C -0.502600 0.366710 1.298968 C -1.596884 0.821856 0.347424 C -3.562441 0.092521 -0.885574 H 1.517819 -0.407412 1.403949 H 2.265853 1.938421 1.367989 H 1.908091 2.960418 -0.132525 H 3.111956 1.101990 -1.569330 H 3.404297 0.166519 0.000471 H -0.451336 -3.339500 0.281378 H 0.569706 -2.637175 1.654971 H 2.502343 -2.199277 0.110843 H 1.580138 -2.885635 -1.338817 H -0.897861 -0.428152 1.953513 H -0.214576 1.236888 1.913565 H -4.168275 -0.822689 -0.943826 H -3.111227 0.333282 -1.862640 H -4.166474 0.950797 -0.544602