%chk=000289590.chk %nprocshared=4 %mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000289590 0 1 O 1.221030 -0.745733 0.769893 O -1.068473 -0.656820 0.740522 O 2.977189 0.621399 1.018306 O -2.720096 0.841641 0.944326 C 0.136599 0.213819 -1.179945 C 0.078412 -0.927287 -0.097602 C 1.447179 0.950376 -0.891355 C -1.120459 1.049425 -0.924921 C 0.028279 -2.363792 -0.531252 C 2.009821 0.340658 0.375293 C -1.760913 0.486547 0.326316 H 0.133711 -0.208767 -2.206161 H 1.315142 2.043724 -0.763849 H 2.178522 0.846120 -1.718361 H -1.835978 1.000742 -1.770680 H -0.907947 2.129553 -0.793325 H -0.867420 -2.584167 -1.126501 H 0.918933 -2.653305 -1.104032 H -0.008532 -3.027334 0.353528 %chk=000289590-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000289590 0 1 O 1.260391 -0.760018 0.794799 O -1.113980 -0.670675 0.762393 O 3.077608 0.676921 0.994504 O -2.817842 0.904454 0.917754 C 0.135105 0.211562 -1.164170 C 0.076739 -0.930732 -0.069715 C 1.469233 0.945294 -0.899330 C -1.142121 1.049199 -0.930373 C 0.029905 -2.374378 -0.545722 C 2.058473 0.342120 0.380350 C -1.811578 0.491905 0.330325 H 0.128626 -0.248927 -2.163664 H 1.356038 2.033202 -0.758660 H 2.205003 0.801950 -1.709890 H -1.865659 0.967430 -1.760268 H -0.946000 2.124150 -0.781435 H -0.867299 -2.545941 -1.164624 H 0.930555 -2.612500 -1.137107 H -0.008200 -3.048216 0.325034