%chk=000024219.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000024219 0 1 O 0.5215000 1.693500 1.114400 O -2.895300 -1.535800 0.2055000 O 2.892800 -1.516200 -0.2620000 C -1.8000000E-03 0.9291000 1.8700000E-02 C -1.153600 6.4499997E-02 0.5687000 C 1.166500 0.1163000 -0.5725000 C -0.5072000 1.930500 -1.027700 C -1.848900 -0.8291000 -0.4508000 C 1.826000 -0.8527000 0.4057000 H -1.904100 0.7210000 1.032400 H -0.8027000 -0.5445000 1.412200 H 0.8409000 -0.4317000 -1.465600 H 1.946800 0.8060000 -0.9237000 H -0.8390000 1.436100 -1.945700 H -1.339500 2.523400 -0.6317000 H 0.2805000 2.646100 -1.291400 H -2.289400 -0.2562000 -1.271100 H -1.160800 -1.568200 -0.8696000 H 2.243500 -0.3270000 1.269100 H 1.128200 -1.614400 0.7639000 H -0.1984000 2.242700 1.469200 H -3.528200 -0.8783000 0.5412000 H 2.510400 -2.011600 -1.006200 %chk=000024219-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000024219 0 1 O 0.625665 1.710074 1.119245 O -2.879904 -1.676381 0.222683 O 2.956681 -1.541191 -0.174186 C -0.009174 0.969456 -0.009424 C -1.173013 0.114012 0.570843 C 1.152993 0.126023 -0.589811 C -0.512262 1.987577 -1.056914 C -1.866203 -0.831412 -0.430362 C 1.747561 -0.908820 0.383943 H -1.935612 0.808169 0.989495 H -0.791870 -0.486066 1.416904 H 0.809876 -0.377013 -1.517093 H 1.962191 0.822939 -0.876119 H -0.894330 1.486650 -1.965415 H -1.330740 2.609594 -0.644848 H 0.314790 2.655522 -1.353838 H -2.317350 -0.260665 -1.269220 H -1.149994 -1.557068 -0.849833 H 2.090622 -0.405683 1.299931 H 1.001721 -1.684149 0.659287 H -0.052604 2.309289 1.525019 H -3.569677 -1.093379 0.630219 H 2.708835 -2.033979 -0.997507