%chk=000067058.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000067058 0 1 O 1.647800 -1.424700 -0.3809000 O 1.109300 2.592500 8.6099997E-02 O 2.474600 0.8964000 -0.1934000 N 1.319500 1.365000 -5.9200000E-02 C -2.176600 0.1310000 6.8000004E-02 C 0.2108000 0.4747000 -7.1800001E-02 C 0.3990000 -0.8984000 -0.2306000 C -1.077100 0.9893000 7.7500001E-02 C -1.988500 -1.241900 -9.0899996E-02 C -0.7007000 -1.756600 -0.2401000 C -3.554100 0.6801000 0.2275000 C 2.336000 -1.807200 0.8078000 H -1.252900 2.055100 0.2051000 H -2.836300 -1.921700 -9.8499998E-02 H -0.5618000 -2.827200 -0.3642000 H -3.652600 1.644100 -0.2831000 H -4.304100 9.8999999E-03 -0.2062000 H -3.783100 0.8173000 1.289000 H 1.972100 -2.784000 1.141500 H 2.206400 -1.076000 1.612700 H 3.401400 -1.893000 0.5770000 %chk=000067058-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000067058 0 1 O 1.685321 -1.468858 -0.414057 O 1.049071 2.658161 -0.455030 O 2.448400 1.099502 0.440672 N 1.299533 1.466365 -0.019629 C -2.239877 0.149967 0.078168 C 0.193172 0.486178 -0.028997 C 0.427130 -0.913860 -0.152555 C -1.119861 1.006379 0.065033 C -2.008463 -1.248552 -0.039930 C -0.704941 -1.765162 -0.162995 C -3.648602 0.698108 0.211972 C 2.476452 -1.909633 0.758700 H -1.239804 2.092383 0.125909 H -2.862700 -1.935997 -0.048895 H -0.533166 -2.837989 -0.297938 H -3.667748 1.796441 0.115657 H -4.317401 0.277732 -0.560962 H -4.084532 0.440503 1.195815 H 1.908696 -2.655048 1.348868 H 2.748852 -1.039576 1.378802 H 3.379565 -2.372343 0.334692