%chk=000148574.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000148574 0 1 O 0.5538000 2.478500 -3.7500001E-02 O -2.485200 -2.120100 -0.2115000 N 4.118200 0.1918000 9.5200002E-02 C 1.837400 4.4799998E-02 -0.8062000 C 2.752900 -0.2489000 0.3971000 C 0.3792000 0.1239000 -0.4510000 C -0.1900000 1.337600 -8.3600000E-02 C -0.3873000 -1.035100 -0.4951000 C 2.796500 -1.734500 0.7551000 C -2.320500 0.2349000 0.2028000 C -1.741800 -0.9792000 -0.1671000 C -1.544500 1.393300 0.2444000 C -3.768800 0.3131000 0.5572000 H 1.980400 -0.7272000 -1.576500 H 2.137100 0.9694000 -1.317400 H 2.414800 0.3120000 1.276400 H 5.5900000E-02 -1.984200 -0.7856000 H 3.500700 -1.918100 1.574900 H 3.107200 -2.347700 -9.8200001E-02 H 1.816400 -2.088400 1.088900 H -1.986000 2.344500 0.5315000 H 4.114100 1.184000 -0.1387000 H 4.460400 -0.2921000 -0.7345000 H -4.065500 1.333900 0.8229000 H -4.390700 8.2000000E-03 -0.2910000 H -3.989200 -0.3211000 1.422300 H 1.495800 2.267400 5.7500001E-02 H -3.406100 -1.946500 3.7999999E-02 %chk=000148574-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000148574 0 1 O 0.571295 2.462986 0.271296 O -2.542605 -2.153874 -0.559742 N 4.280683 0.018821 -0.069139 C 1.876730 0.063844 -0.911320 C 2.859278 -0.117840 0.309447 C 0.404740 0.112515 -0.536030 C -0.170028 1.278891 0.043853 C -0.439139 -1.007923 -0.719496 C 2.654430 -1.482601 0.992489 C -2.365010 0.188724 0.251436 C -1.793405 -0.976387 -0.332878 C -1.526394 1.311663 0.427345 C -3.826615 0.215820 0.663058 H 2.055744 -0.772394 -1.614231 H 2.180301 0.985408 -1.458121 H 2.638440 0.674441 1.054187 H -0.047778 -1.926585 -1.168969 H 3.313281 -1.565133 1.873191 H 2.905248 -2.307004 0.294834 H 1.606861 -1.615001 1.310361 H -1.919982 2.234311 0.866021 H 4.533331 0.918634 -0.491486 H 4.640146 -0.773691 -0.612554 H -4.093772 1.196962 1.088197 H -4.505701 0.040931 -0.196299 H -4.057085 -0.544554 1.436941 H 1.489041 2.368860 -0.084399 H -3.476834 -2.035625 -0.257688