%chk=000110700.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000110700 0 1 O -1.883900 -2.452300 -7.7200003E-02 C -0.7799000 -0.3865000 0.6203000 C 0.6606000 -6.5700002E-02 0.2715000 C -1.752500 0.3205000 -0.2872000 C 1.325000 -0.8630000 -0.6420000 C 1.274100 1.016000 0.8758000 C -1.036400 -1.886900 0.6068000 C 2.650200 -0.5681000 -0.9626000 C 2.599200 1.311100 0.5550000 C -2.687400 1.178300 0.1492000 C 3.287200 0.5191000 -0.3642000 C -3.656300 1.877500 -0.7456000 H -0.9577000 -9.0200000E-02 1.663900 H -1.683200 0.1124000 -1.353100 H 0.8489000 -1.704100 -1.136100 H 0.7460000 1.639300 1.591400 H -0.4116000 -2.474000 1.304400 H 3.184900 -1.182100 -1.681300 H 3.095100 2.157900 1.020500 H -2.765800 1.392600 1.211700 H 4.318600 0.7495000 -0.6149000 H -4.680400 1.617700 -0.4609000 H -3.536800 2.961000 -0.6494000 H -3.516700 1.611100 -1.798000 %chk=000110700-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000110700 0 1 O -1.690117 -2.622382 0.125885 C -0.837118 -0.365676 0.706759 C 0.625998 -0.058411 0.330989 C -1.831026 0.229971 -0.273915 C 1.209526 -0.651856 -0.819236 C 1.403548 0.831673 1.112298 C -0.967194 -1.892475 0.841418 C 2.541424 -0.353880 -1.181964 C 2.736170 1.131473 0.749692 C -2.696423 1.227850 0.035646 C 3.309447 0.539496 -0.399406 C -3.686712 1.845574 -0.924801 H -1.018166 0.054784 1.718083 H -1.823350 -0.194811 -1.286900 H 0.623177 -1.348466 -1.431059 H 0.962194 1.298416 2.001502 H -0.315950 -2.330635 1.641928 H 2.980493 -0.819404 -2.071488 H 3.324712 1.824849 1.361016 H -2.696337 1.632365 1.060905 H 4.342782 0.770542 -0.680861 H -4.724353 1.729222 -0.556036 H -3.507640 2.932697 -1.038600 H -3.623886 1.380184 -1.923854