%chk=000009213.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000009213 0 1 O -7.0000002E-03 -0.8556000 -1.102900 N 0.6987000 1.926600 -0.4618000 C -1.482500 0.7878000 -9.4499998E-02 C -1.157300 -0.5239000 -0.4335000 C 1.154100 -0.5161000 -0.4531000 C 1.484300 0.8078000 -0.1424000 C -2.714900 1.074800 0.4983000 C -0.5958000 1.913700 -0.4081000 C -2.065200 -1.555000 -0.1805000 C 2.032700 -1.567300 -0.1648000 C 2.716600 1.047500 0.4844000 C -3.611200 4.0500000E-02 0.7693000 C -3.286800 -1.273000 0.4307000 C 3.246300 -1.308000 0.4658000 C 3.588000 3.0000001E-04 0.7931000 H -1.100300 2.876200 -0.6039000 H -2.988000 2.094600 0.7564000 H -1.828500 -2.578300 -0.4593000 H 1.771700 -2.589400 -0.4262000 H 3.010600 2.064900 0.7346000 H -4.566800 0.2596000 1.236700 H -3.990300 -2.075300 0.6335000 H 3.925500 -2.123000 0.6968000 H 4.535800 0.2093000 1.280400 %chk=000009213-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000009213 0 1 O -0.014387 -0.993607 -0.871784 N 0.715152 1.921177 -0.219443 C -1.547688 0.782548 -0.023029 C -1.241998 -0.583176 -0.286450 C 1.222172 -0.581495 -0.285930 C 1.548324 0.785572 -0.028297 C -2.864982 1.091340 0.417543 C -0.595853 1.899937 -0.217130 C -2.204361 -1.595346 -0.108242 C 2.167575 -1.606176 -0.094876 C 2.864022 1.067110 0.433524 C -3.834559 0.086226 0.609354 C -3.502081 -1.262406 0.341677 C 3.464023 -1.298276 0.376539 C 3.810869 0.045656 0.647929 H -1.072530 2.886547 -0.336788 H -3.118223 2.141081 0.609734 H -1.927574 -2.627167 -0.343248 H 1.873631 -2.633792 -0.329430 H 3.108530 2.119425 0.608159 H -4.840327 0.349861 0.951653 H -4.249706 -2.051926 0.472578 H 4.195113 -2.100973 0.519090 H 4.814559 0.296560 1.005866