%chk=000108712.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108712 0 1 O 1.274500 2.484500 2.0000001E-03 O -3.723700 0.7378000 -8.9999998E-04 O 2.715900 -2.002300 1.6000000E-03 N -1.878500 -0.7863000 9.9999997E-05 N -1.448600 1.426900 1.9999999E-04 N 2.071400 0.2608000 -7.9999998E-04 N 0.4754000 -1.506100 3.0000001E-04 C -0.5173000 -0.5813000 1.9999999E-04 C -0.2757000 0.7287000 3.9999999E-04 C 1.082300 1.272900 3.9999999E-04 C -2.527700 0.4901000 0.000000 C 1.825000 -1.149300 5.0000002E-04 C -2.536300 -2.068400 -6.9999998E-04 C 3.463300 0.6921000 -3.3000000E-03 H -1.526700 2.436300 0.000000 H 0.2220000 -2.489100 5.0000002E-04 H -2.242100 -2.624300 0.8940000 H -2.242200 -2.623100 -0.8963000 H -3.621200 -1.933400 -6.0000003E-04 H 3.954100 0.2916000 0.8893000 H 3.564900 1.779700 -1.6300000E-02 H 3.958900 0.2700000 -0.8833000 %chk=000108712-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108712 0 1 O 1.389376 2.537239 -0.001433 O -3.787199 0.660497 0.000261 O 2.806441 -1.982149 -0.000516 N -1.875855 -0.805066 -0.000120 N -1.495649 1.412300 -0.000611 N 2.098882 0.266238 -0.001438 N 0.516283 -1.535171 -0.000822 C -0.503349 -0.603399 -0.000672 C -0.245299 0.762333 -0.000967 C 1.084788 1.304576 -0.001350 C -2.543056 0.481683 -0.000070 C 1.875860 -1.129645 -0.000870 C -2.614653 -2.067004 0.000221 C 3.520207 0.686906 -0.001216 H -1.634873 2.420710 -0.000728 H 0.358951 -2.543980 -0.000356 H -2.396084 -2.663799 0.904504 H -2.397117 -2.663679 -0.904383 H -3.686739 -1.807296 0.000865 H 4.029620 0.303190 0.897988 H 3.532995 1.786967 -0.010726 H 4.034169 0.286350 -0.890264