%chk=000111405.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000111405 0 1 O 0.3305000 0.4803000 0.4451000 O -1.005000 0.6302000 -1.486900 C -0.7911000 -7.1999997E-02 -0.2631000 C 1.474500 -0.3811000 0.2701000 C -0.4526000 -1.533400 -0.5235000 C 1.048300 -1.474500 -0.7120000 C -2.040900 9.7900003E-02 0.5857000 C 1.832100 -0.9516000 1.643600 C 2.614100 0.4334000 -0.2574000 C -2.320800 1.577800 0.8494000 C -3.246800 -0.5603000 -8.6000003E-02 C 2.557700 1.753300 -0.4650000 H -0.9554000 -1.955100 -1.398900 H -0.6754000 -2.158900 0.3490000 H 1.534400 -2.438500 -0.5294000 H 1.272800 -1.189800 -1.748100 H -1.882600 -0.3783000 1.562600 H 0.9859000 -1.495800 2.078300 H 2.688500 -1.632500 1.590600 H 2.073200 -0.1494000 2.351700 H 3.543000 -8.6199999E-02 -0.4805000 H -1.477200 2.063300 1.350600 H -3.193400 1.689000 1.502800 H -2.531900 2.127600 -7.3899999E-02 H -3.109000 -1.639800 -0.2009000 H -4.145900 -0.4171000 0.5240000 H -3.450100 -0.1336000 -1.073900 H -0.4506000 0.2303000 -2.176900 H 3.428700 2.274600 -0.8493000 H 1.675900 2.351000 -0.2680000 %chk=000111405-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000111405 0 1 O 0.307654 0.399347 0.479631 O -0.893303 0.419330 -1.609901 C -0.825879 -0.180148 -0.268040 C 1.538844 -0.438942 0.278916 C -0.441229 -1.652194 -0.496439 C 1.088661 -1.567432 -0.705415 C -2.109446 0.097835 0.553610 C 1.930543 -0.993945 1.669309 C 2.666453 0.407453 -0.286613 C -2.339711 1.615578 0.749512 C -3.340993 -0.569844 -0.099531 C 2.615816 1.739631 -0.521914 H -0.966398 -2.072059 -1.367895 H -0.696778 -2.248336 0.398445 H 1.606271 -2.519184 -0.496009 H 1.300169 -1.264904 -1.744441 H -1.935733 -0.356446 1.549571 H 1.160867 -1.693341 2.042047 H 2.897632 -1.527999 1.623437 H 2.025593 -0.162385 2.387753 H 3.589888 -0.154415 -0.497708 H -1.438815 2.104646 1.158471 H -3.176256 1.787092 1.450597 H -2.612905 2.104155 -0.206192 H -3.239217 -1.669462 -0.146854 H -4.253888 -0.340861 0.480230 H -3.479011 -0.194978 -1.129922 H -0.831847 1.402837 -1.503145 H 3.476991 2.280881 -0.929204 H 1.706927 2.308890 -0.302507