%chk=000061450.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000061450 0 1 O 2.328700 0.7656000 0.7500000 O -2.708300 0.4737000 -0.1589000 O -2.010300 -1.644400 0.4316000 C 0.7062000 -0.9193000 0.2002000 C -0.3970000 9.6699998E-02 -9.9500000E-02 C 2.076400 -0.3224000 5.4000001E-03 C -1.775900 -0.4910000 9.7999997E-02 C 3.111500 -0.6774000 -0.7849000 C -4.072700 6.6000000E-02 -1.5799999E-02 C 4.120300 0.2783000 -0.5167000 C 3.595300 1.134100 0.4235000 C -4.974200 1.240000 -0.3330000 H 0.5945000 -1.796500 -0.4491000 H 0.6210000 -1.277600 1.233600 H -0.3152000 0.4403000 -1.137300 H -0.3026000 0.9638000 0.5649000 H 3.159500 -1.509300 -1.472500 H -4.281800 -0.7585000 -0.7065000 H -4.248000 -0.2679000 1.013000 H 5.106600 0.3363000 -0.9539000 H 3.974500 2.007200 0.9344000 H -6.027300 0.9628000 -0.2332000 H -4.764300 2.079400 0.3381000 H -4.797600 1.596900 -1.353100 %chk=000061450-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000061450 0 1 O 2.411238 0.794490 0.772856 O -2.768304 0.490957 -0.170379 O -2.052680 -1.643189 0.435227 C 0.714491 -0.912314 0.174653 C -0.401518 0.113335 -0.138141 C 2.087437 -0.343579 -0.008471 C -1.787122 -0.470380 0.081418 C 3.184569 -0.682624 -0.783787 C -4.186944 0.047349 0.009741 C 4.240655 0.268247 -0.489324 C 3.739119 1.144541 0.454617 C -5.067819 1.245096 -0.329222 H 0.607092 -1.794346 -0.479496 H 0.580825 -1.278945 1.210244 H -0.329960 0.468308 -1.183632 H -0.289872 1.012636 0.494683 H 3.234644 -1.515272 -1.482929 H -4.367865 -0.816150 -0.655705 H -4.313312 -0.291913 1.053821 H 5.238198 0.291841 -0.923635 H 4.135572 2.009424 0.978728 H -6.132427 0.972416 -0.211377 H -4.850923 2.095693 0.339145 H -4.905795 1.571177 -1.370737