%chk=000110647.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000110647 0 1 O 3.412900 0.6175000 1.118100 O 1.883200 1.635500 -0.2241000 O -1.788300 1.644900 -0.3552000 O -3.783200 0.5697000 -0.4916000 C 1.985600 -0.8007000 -0.1252000 C 0.4846000 -0.8887000 -0.4464000 C -0.3916000 -0.4547000 0.7377000 C 2.821900 -1.271200 -1.312300 C -1.861600 -0.5611000 0.4218000 C 2.397100 0.6178000 0.2176000 C -2.601500 0.5771000 -0.1822000 C -2.559100 -1.686000 0.6417000 H 2.189400 -1.441700 0.7418000 H 0.2533000 -0.2631000 -1.318800 H 0.2376000 -1.921400 -0.7254000 H -0.1509000 0.5596000 1.072300 H -0.1614000 -1.098600 1.597700 H 3.891400 -1.224300 -1.079900 H 2.578800 -2.305800 -1.575300 H 2.649700 -0.6443000 -2.194500 H -2.078100 -2.560800 1.068500 H -3.614600 -1.778100 0.4091000 H 3.685400 1.527700 1.362100 H -2.260800 2.405800 -0.7553000 %chk=000110647-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000110647 0 1 O 2.710413 0.714236 1.546892 O 2.610941 1.587429 -0.600336 O -1.601109 1.562812 -0.447212 O -3.696637 0.571232 -0.559005 C 2.044892 -0.799038 -0.232537 C 0.506775 -0.819048 -0.489630 C -0.337770 -0.567730 0.789737 C 2.820695 -1.243662 -1.495209 C -1.831543 -0.627540 0.520587 C 2.476272 0.606917 0.163919 C -2.495946 0.506662 -0.201354 C -2.626905 -1.668322 0.895321 H 2.274773 -1.472171 0.613606 H 0.261601 -0.060963 -1.255844 H 0.246501 -1.811210 -0.906384 H -0.075444 0.420204 1.209278 H -0.077493 -1.327338 1.551080 H 3.909763 -1.268769 -1.312613 H 2.499550 -2.255364 -1.800652 H 2.631261 -0.545794 -2.329179 H -2.219354 -2.529044 1.436916 H -3.697683 -1.665317 0.663707 H 2.969555 1.652884 1.760272 H -2.083309 2.294034 -0.919159