%chk=000108812.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108812 0 1 O -0.1094000 -1.938700 -0.5281000 O 2.265800 -1.316600 0.4824000 N -0.8358000 0.2639000 -0.2142000 N 1.846300 0.9269000 0.1131000 C -0.4660000 1.611200 0.1989000 C 0.9164000 1.943500 -0.3162000 C -2.241900 1.9000000E-03 -0.4722000 C 9.7599998E-02 -0.7671000 -0.2343000 C 1.512900 -0.4081000 0.1570000 C -2.985900 -0.3170000 0.8136000 H -0.4964000 1.637800 1.294400 H -1.190600 2.334400 -0.1893000 H 0.9380000 1.966700 -1.411200 H 1.261900 2.909300 6.4000003E-02 H -2.686300 0.8634000 -0.9814000 H -2.323300 -0.8566000 -1.148400 H 2.799700 1.197700 0.3337000 H -2.552900 -1.189100 1.314600 H -2.943900 0.5246000 1.512600 H -4.037700 -0.5316000 0.6010000 %chk=000108812-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108812 0 1 O -0.216306 -1.972415 -0.537969 O 2.397208 -1.318708 0.442880 N -0.824205 0.265307 -0.240539 N 1.884663 0.924281 0.110155 C -0.453840 1.620564 0.220571 C 0.944367 1.978142 -0.304897 C -2.255707 -0.047744 -0.480396 C 0.096020 -0.782893 -0.241700 C 1.561781 -0.425970 0.133919 C -3.039913 -0.303846 0.825339 H -0.469436 1.688966 1.327774 H -1.196668 2.336040 -0.176699 H 0.916345 2.080030 -1.408821 H 1.272926 2.941646 0.123773 H -2.699888 0.795133 -1.044157 H -2.281249 -0.949920 -1.113512 H 2.863341 1.151864 0.306939 H -2.609850 -1.164817 1.364963 H -3.026562 0.577430 1.492630 H -4.094528 -0.536591 0.589747