%chk=000109174.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109174 0 1 O -0.4067000 2.611700 -0.8464000 C 0.3456000 0.6887000 0.4052000 C -0.3271000 -0.3641000 -0.5349000 C 1.818200 0.8818000 -2.0099999E-02 C 2.622300 -0.4199000 3.0200001E-02 C 0.2675000 0.3141000 1.898100 C 0.5548000 -1.568600 -0.7793000 C -1.694200 -0.7844000 -6.3199997E-02 C 1.869000 -1.592800 -0.5160000 C -0.3320000 2.027800 0.2296000 C -2.844600 5.1500000E-02 -0.5403000 C -1.872800 -1.845800 0.7372000 H -0.4538000 8.2500003E-02 -1.533000 H 2.310400 1.638200 0.6051000 H 1.859000 1.274300 -1.046300 H 2.917000 -0.6414000 1.062500 H 3.548100 -0.2866000 -0.5413000 H -0.7576000 0.3652000 2.282100 H 0.6544000 -0.6901000 2.096900 H 0.8545000 1.015800 2.503600 H 0.1129000 -2.449600 -1.240500 H 2.433300 -2.497300 -0.7240000 H -0.7704000 2.484600 1.133600 H -2.808500 1.057000 -0.1134000 H -2.835700 0.1321000 -1.632200 H -3.808200 -0.3863000 -0.2569000 H -2.867600 -2.131400 1.065100 H -1.054100 -2.452500 1.107600 %chk=000109174-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000109174 0 1 O -0.663339 2.458012 -1.111860 C 0.315758 0.700646 0.333702 C -0.322004 -0.423971 -0.573631 C 1.831126 0.876016 -0.063119 C 2.646758 -0.412229 0.170563 C 0.185102 0.406117 1.845927 C 0.628735 -1.594900 -0.775590 C -1.708967 -0.867781 -0.071300 C 1.944469 -1.608057 -0.440147 C -0.291409 2.074025 0.023539 C -2.838386 0.137507 -0.224820 C -1.932404 -2.087319 0.489437 H -0.488121 0.059225 -1.563963 H 2.269988 1.717354 0.509444 H 1.877286 1.144308 -1.135834 H 2.826169 -0.579206 1.253201 H 3.650140 -0.292035 -0.284193 H -0.869737 0.418017 2.172404 H 0.586158 -0.591991 2.088868 H 0.740708 1.156752 2.440168 H 0.188052 -2.481125 -1.252782 H 2.542249 -2.510003 -0.629149 H -0.325702 2.776846 0.899012 H -2.699967 1.011821 0.442965 H -2.881469 0.543035 -1.252838 H -3.813692 -0.315884 0.021640 H -2.933287 -2.380678 0.828139 H -1.130513 -2.820001 0.629215