%chk=000057146.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000057146 0 1 O -1.468200 -1.767700 -1.529800 O 3.861400 -0.1659000 -1.206400 O 3.027200 2.182900 0.5119000 C -1.244900 -0.8411000 0.6548000 C -2.764400 0.9154000 -3.0099999E-02 C -0.9740000 -0.5990000 -0.8521000 C -1.888700 0.4644000 1.147200 C -1.865800 0.6121000 -1.244700 C -9.5100001E-02 -1.347000 1.546200 C -3.092600 2.408900 6.8599999E-02 C -4.081400 0.1246000 -0.1057000 C 0.4284000 -0.3618000 -1.363700 C 1.036000 -0.3674000 1.694600 C 0.4023000 -2.739700 1.147400 C 1.556000 -2.6100000E-02 -0.7129000 C 1.715800 0.2282000 0.7025000 C 2.733700 7.2200000E-02 -1.600100 C 2.714300 1.206900 1.172300 H -2.022400 -1.616300 0.7372000 H -2.470500 0.3062000 2.062000 H -1.128000 1.222800 1.366600 H -1.241800 1.491100 -1.456100 H -2.459200 0.4129000 -2.145200 H -0.5250000 -1.459500 2.552700 H -2.182800 3.016500 0.1309000 H -3.656500 2.746800 -0.8078000 H -3.693000 2.620900 0.9603000 H -4.669700 0.2575000 0.8091000 H -4.693400 0.4681000 -0.9476000 H -3.920400 -0.9487000 -0.2433000 H 0.4926000 -0.4958000 -2.446400 H 1.263000 -0.1084000 2.728700 H -0.4291000 -3.452200 1.117500 H 0.8900000 -2.752400 0.1686000 H 1.128600 -3.112800 1.878600 H -0.9152000 -2.524400 -1.271300 H 2.535000 0.3418000 -2.651600 H 3.138500 1.030100 2.175700 %chk=000057146-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000057146 0 1 O -1.642085 -1.675694 -1.661338 O 3.989262 -0.234777 -1.103577 O 3.027514 2.276192 0.261389 C -1.251067 -0.875745 0.685035 C -2.779934 0.950219 0.018456 C -0.994744 -0.596103 -0.849149 C -1.945640 0.407372 1.215956 C -1.799216 0.709614 -1.170897 C -0.063936 -1.369617 1.569668 C -3.120323 2.448319 0.184192 C -4.088670 0.136999 -0.172908 C 0.422025 -0.463330 -1.365565 C 1.020311 -0.319649 1.718844 C 0.502826 -2.745788 1.112160 C 1.582708 -0.091895 -0.736516 C 1.731257 0.257679 0.698881 C 2.824003 -0.163746 -1.568410 C 2.623660 1.397866 1.064568 H -2.004212 -1.689437 0.696966 H -2.567158 0.203922 2.108006 H -1.184846 1.161728 1.500859 H -1.099962 1.562782 -1.249577 H -2.307689 0.592127 -2.143377 H -0.498147 -1.528753 2.577433 H -2.207472 3.054544 0.337260 H -3.642045 2.839162 -0.709570 H -3.784805 2.607700 1.054576 H -4.723619 0.199093 0.731331 H -4.670233 0.540883 -1.022551 H -3.884012 -0.925175 -0.391157 H 0.482329 -0.674277 -2.446964 H 1.231847 0.037506 2.739082 H -0.309847 -3.495885 1.074428 H 0.981053 -2.692640 0.119127 H 1.264161 -3.109684 1.824174 H -1.177780 -2.531446 -1.466976 H 2.637002 -0.212084 -2.671713 H 2.868186 1.456120 2.156455