%chk=000107541.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107541 0 1 O 2.562700 -0.7531000 0.7027000 O -2.215600 -1.246500 0.1123000 O -1.841700 0.8417000 0.9463000 N 0.1621000 1.318600 -0.7802000 C -0.4900000 4.9999999E-03 -0.8746000 C 0.5927000 -1.041100 -0.6553000 C 1.219000 1.192500 0.2297000 C 1.582700 -0.2624000 0.1581000 C -1.571800 -5.4699998E-02 0.1609000 H -0.9632000 -0.1020000 -1.856500 H 1.070700 -1.325000 -1.597700 H 0.2608000 -1.921500 -0.1005000 H 0.8498000 1.426000 1.232200 H 2.074800 1.819300 -2.9100001E-02 H -0.4940000 2.060600 -0.5447000 H -2.927200 -1.306200 0.7849000 %chk=000107541-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000107541 0 1 O 2.603166 -0.794648 0.799483 O -2.271067 -1.336844 0.133041 O -1.990276 0.801241 1.004153 N 0.192571 1.322246 -0.796026 C -0.527120 0.035259 -0.862737 C 0.597992 -1.012221 -0.655329 C 1.270194 1.219734 0.213307 C 1.634744 -0.272807 0.205550 C -1.640496 -0.089634 0.199860 H -1.018060 -0.096905 -1.844587 H 1.068785 -1.260728 -1.624595 H 0.264725 -1.951596 -0.188383 H 0.960048 1.491423 1.249693 H 2.150083 1.834528 -0.047037 H -0.414612 2.143035 -0.698514 H -3.008878 -1.380883 0.800620