%chk=000009096.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000009096 0 1 O 1.127500 1.179100 -0.6031000 O 0.4875000 -0.3970000 1.077200 C 7.4800000E-02 0.3572000 -7.4000001E-02 C -1.003800 1.339600 0.4230000 C -0.5388000 -0.5413000 -1.168100 C -2.270900 0.6344000 0.9046000 C -1.797700 -1.263500 -0.6898000 C -2.843300 -0.2821000 -0.1711000 C 2.321200 0.4580000 -0.8948000 C 1.658500 -1.178900 0.8614000 C 2.784900 -0.3054000 0.3346000 H -1.258100 2.048300 -0.3764000 H -0.6011000 1.943100 1.246900 H 0.1767000 -1.294800 -1.513100 H -0.7738000 6.8599999E-02 -2.050300 H -2.051100 4.9400002E-02 1.805900 H -3.021200 1.381200 1.188100 H -2.221500 -1.846600 -1.515400 H -1.537600 -1.976800 0.1017000 H -3.701100 -0.8330000 0.2303000 H -3.216300 0.3254000 -1.004900 H 3.084400 1.182600 -1.196100 H 2.156000 -0.2107000 -1.746000 H 1.436600 -2.005400 0.1786000 H 1.945400 -1.622000 1.820400 H 3.673400 -0.9042000 0.1121000 H 3.049100 0.4219000 1.112200 %chk=000009096-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000009096 0 1 O 1.124143 1.208000 -0.616606 O 0.475069 -0.399973 1.093613 C 0.026346 0.370953 -0.087768 C -1.022871 1.359586 0.436725 C -0.554441 -0.558517 -1.182981 C -2.302118 0.637735 0.919533 C -1.829235 -1.283364 -0.686374 C -2.888633 -0.272558 -0.186128 C 2.362407 0.456068 -0.903296 C 1.694479 -1.197207 0.858141 C 2.837452 -0.295426 0.354559 H -1.260554 2.058634 -0.387451 H -0.559277 1.942961 1.251032 H 0.196533 -1.296912 -1.520396 H -0.795675 0.079036 -2.055627 H -2.053100 0.023612 1.805839 H -3.050472 1.388010 1.238979 H -2.242386 -1.908251 -1.501606 H -1.556826 -1.962459 0.145318 H -3.777433 -0.811365 0.195350 H -3.230245 0.352441 -1.037679 H 3.085903 1.222597 -1.225065 H 2.204850 -0.253849 -1.744125 H 1.495880 -2.013679 0.129757 H 1.924395 -1.650254 1.836240 H 3.734080 -0.903822 0.123815 H 3.101432 0.435102 1.140102