%chk=000108442.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108442 0 1 O -0.9179000 1.502000 0.2572000 C -0.4376000 0.2519000 0.7814000 C -3.062700 0.6228000 -0.4178000 C -2.505800 -0.7578000 -0.2003000 C -2.325200 1.657300 0.4265000 C -1.301500 -0.9183000 0.3732000 C 0.9961000 8.1799999E-02 0.3248000 C -3.350500 -1.910600 -0.6471000 C 1.921100 -0.5537000 1.153300 C 1.391900 0.5609000 -0.9239000 C 3.241900 -0.7100000 0.7329000 C 2.712600 0.4045000 -1.344300 C 3.637600 -0.2309000 -0.5159000 H -0.4519000 0.3362000 1.876000 H -2.958000 0.8692000 -1.481300 H -4.129200 0.6544000 -0.1687000 H -2.597100 2.666700 0.1016000 H -2.580600 1.571600 1.490000 H -0.9190000 -1.919500 0.5555000 H -4.304900 -1.913200 -0.1109000 H -2.862200 -2.873700 -0.4649000 H -3.554300 -1.837400 -1.720200 H 1.625000 -0.9327000 2.127800 H 0.6882000 1.047600 -1.593800 H 3.962000 -1.205300 1.377600 H 3.020300 0.7745000 -2.318000 H 4.665800 -0.3534000 -0.8436000 %chk=000108442-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108442 0 1 O -0.928172 1.565416 0.323395 C -0.430206 0.274327 0.834347 C -3.109097 0.645142 -0.417719 C -2.517349 -0.744635 -0.217831 C -2.389020 1.678097 0.467418 C -1.303529 -0.893201 0.377877 C 1.011346 0.113413 0.359132 C -3.336191 -1.918999 -0.713459 C 1.973789 -0.487316 1.205504 C 1.390755 0.515959 -0.944780 C 3.297497 -0.695352 0.754023 C 2.714366 0.316360 -1.394264 C 3.671368 -0.294511 -0.549055 H -0.431052 0.310200 1.950055 H -3.029470 0.936358 -1.484822 H -4.191698 0.634986 -0.173980 H -2.625159 2.713787 0.172055 H -2.675019 1.531572 1.532320 H -0.880935 -1.893065 0.542214 H -4.314836 -1.970834 -0.196185 H -2.813290 -2.878814 -0.559996 H -3.554939 -1.818326 -1.795427 H 1.692597 -0.786509 2.223491 H 0.647121 1.001210 -1.584494 H 4.035011 -1.159216 1.418921 H 3.002090 0.638177 -2.401861 H 4.698122 -0.449326 -0.899780