%chk=000091247.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000091247 0 1 O 1.657100 -2.513700 -0.1156000 O 2.381400 2.204400 -0.1327000 N -4.224800 1.320500 -2.4999999E-03 C -2.082900 0.4787000 0.8529000 C -2.996700 0.6142000 -0.3789000 C -0.6305000 0.2546000 0.5066000 C -3.383500 -0.7402000 -0.9729000 C 0.2058000 1.347600 0.3465000 C -0.1607000 -1.040300 0.3554000 C 1.181100 -1.247600 3.5500001E-02 C 1.547600 1.140500 2.6600000E-02 C 2.035400 -0.1571000 -0.1288000 C 0.7295000 -3.582300 6.7199998E-02 C 3.741100 1.920700 -0.4593000 H -2.439200 -0.3216000 1.515800 H -2.136700 1.392100 1.462700 H -2.500200 1.208100 -1.155300 H -4.083000 -0.6152000 -1.807600 H -3.860800 -1.387100 -0.2283000 H -2.506300 -1.263700 -1.365100 H -0.1706000 2.360200 0.4642000 H -0.8680000 -1.849400 0.5000000 H -3.990300 2.231600 0.3897000 H -4.702700 0.8088000 0.7388000 H 3.067400 -0.3831000 -0.3766000 H -7.2400004E-02 -3.551500 -0.6784000 H 0.3436000 -3.609400 1.091900 H 1.277700 -4.516700 -9.2299998E-02 H 4.239300 1.362900 0.3408000 H 4.258900 2.881300 -0.5491000 H 3.826000 1.420400 -1.430000 %chk=000091247-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000091247 0 1 O 1.738679 -2.656377 0.023304 O 2.280504 2.160103 -0.301725 N -4.391737 1.301547 0.141088 C -2.144413 0.433112 0.968639 C -3.039093 0.855680 -0.256249 C -0.690522 0.167858 0.609041 C -3.169470 -0.281491 -1.286902 C 0.170484 1.249320 0.328372 C -0.198836 -1.163905 0.517026 C 1.145561 -1.386161 0.142495 C 1.516432 1.009087 -0.048513 C 2.016812 -0.306159 -0.145794 C 0.901666 -3.822124 0.308940 C 3.679107 1.970058 -0.690613 H -2.600455 -0.464368 1.433134 H -2.201104 1.250853 1.714934 H -2.539960 1.715508 -0.746039 H -3.754103 0.062648 -2.156870 H -3.693006 -1.152126 -0.842322 H -2.177037 -0.620084 -1.629673 H -0.175005 2.285526 0.403428 H -0.871468 -1.997314 0.740955 H -4.398230 2.097197 0.789088 H -4.991984 0.538331 0.474526 H 3.047410 -0.533070 -0.429044 H 0.038099 -3.878866 -0.382484 H 0.536936 -3.810613 1.354745 H 1.557198 -4.692055 0.154738 H 4.251887 1.453639 0.104396 H 4.077846 2.984840 -0.836430 H 3.760402 1.397103 -1.634991