%chk=000066839.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000066839 0 1 O 4.594300 0.6424000 -0.3043000 O -3.857500 1.518500 1.148700 O 0.7831000 -1.944000 1.211800 O -0.7044000 -2.866900 -0.1236000 O 3.023000 2.065700 0.5232000 O -3.888600 0.9167000 -1.045900 N 1.4900000E-02 -0.7723000 -0.5465000 N 2.0400001E-02 -1.932100 0.2381000 C 0.9139000 0.2939000 -0.1230000 C -1.313600 -0.2437000 -0.8816000 C 2.358600 -6.7299999E-02 -0.4548000 C -1.944400 0.4186000 0.3395000 C 3.319400 1.009900 -1.5699999E-02 C -3.319000 0.9605000 3.4100000E-02 H 0.6910000 1.222600 -0.6674000 H 0.8084000 0.5381000 0.9428000 H -1.224700 0.4826000 -1.700500 H -1.967100 -1.032500 -1.275800 H 2.468200 -0.1909000 -1.539200 H 2.675700 -0.9944000 3.2400001E-02 H -1.348700 1.269100 0.6879000 H -2.050200 -0.3034000 1.157500 H 5.242900 1.324900 -2.8700000E-02 H -4.753800 1.879900 0.9803000 %chk=000066839-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000066839 0 1 O 4.586793 0.680086 -1.155718 O -4.536952 1.233719 0.561677 O 1.093320 -2.350776 1.124298 O -1.070223 -2.573381 0.358095 O 3.509241 1.938305 0.473414 O -3.457648 1.359339 -1.492008 N 0.019534 -0.553043 0.162865 N 0.014030 -1.896512 0.569923 C 1.216596 0.254070 0.456438 C -1.172311 -0.037689 -0.533661 C 2.370708 -0.011025 -0.536030 C -2.322475 0.309945 0.437647 C 3.503376 0.972849 -0.322970 C -3.453492 1.006762 -0.291140 H 0.913215 1.313746 0.419101 H 1.554757 0.038729 1.483923 H -0.860188 0.857155 -1.097716 H -1.517359 -0.789826 -1.262824 H 2.026345 0.077178 -1.584069 H 2.755513 -1.038966 -0.413953 H -1.972106 0.973522 1.251057 H -2.710297 -0.605112 0.919174 H 5.315595 1.340928 -1.000351 H -5.264171 1.695895 0.062128