%chk=000107475.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107475 0 1 O 0.7321000 -1.593300 -1.314300 O -1.304700 2.271800 0.3724000 O -3.174200 1.659400 -0.7331000 N -0.1390000 -5.4099999E-02 0.1857000 N 3.134600 -1.635600 -0.2003000 C -1.485100 -4.1200001E-02 -0.3383000 C -2.329300 -1.145100 0.3338000 C 2.196300 -0.6781000 0.3898000 C 2.756000 0.7630000 0.3340000 C 0.8703000 -0.8390000 -0.3526000 C -3.693100 -1.322100 -0.3395000 C -2.505900 -0.9362000 1.841100 C 4.039500 0.9078000 1.157400 C 2.992000 1.285300 -1.087700 C -2.089600 1.357200 -0.2483000 H -1.407700 -0.2571000 -1.412100 H -1.792200 -2.095500 0.2066000 H 2.027300 -0.9615000 1.435900 H 2.016900 1.432400 0.7930000 H 5.3399999E-02 0.5065000 1.010400 H -4.182300 -2.230800 2.8500000E-02 H -3.585900 -1.421100 -1.424600 H -4.366800 -0.4857000 -0.1314000 H -3.045700 -8.2000000E-03 2.056600 H -3.075000 -1.762900 2.279900 H -1.539800 -0.8952000 2.353900 H 4.865200 0.3300000 0.7292000 H 4.354400 1.956200 1.199800 H 3.881300 0.5674000 2.186100 H 3.305300 2.334900 -1.061400 H 3.775600 0.7223000 -1.604600 H 2.078900 1.233400 -1.688900 H 3.245000 -1.454900 -1.196900 H 2.760100 -2.580100 -0.1190000 H -1.719700 3.160500 0.3882000 %chk=000107475-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000107475 0 1 O 0.630612 -1.389921 -1.213781 O -1.622227 2.087308 1.253212 O -3.270506 1.865051 -0.366188 N -0.158157 0.104067 0.376009 N 3.116023 -1.649734 0.042215 C -1.513466 0.134938 -0.195967 C -2.362150 -1.129087 0.223807 C 2.247441 -0.535922 0.456526 C 2.885996 0.859467 0.106240 C 0.842097 -0.656383 -0.194653 C -3.608979 -1.299817 -0.670362 C -2.722959 -1.119714 1.725309 C 4.175744 1.058976 0.930662 C 3.167504 0.985542 -1.407560 C -2.233803 1.424119 0.169319 H -1.423151 0.098648 -1.298752 H -1.675550 -1.974538 0.024553 H 2.128003 -0.568123 1.559044 H 2.152871 1.643640 0.395724 H 0.035590 0.714780 1.172390 H -4.140095 -2.231734 -0.403050 H -3.328771 -1.364677 -1.737875 H -4.313406 -0.457237 -0.555252 H -3.460823 -0.328660 1.959211 H -3.172766 -2.087084 2.012819 H -1.831158 -0.961169 2.358863 H 4.874753 0.230189 0.720740 H 4.667787 2.013961 0.668754 H 3.967770 1.069346 2.018332 H 3.586097 1.981369 -1.641647 H 3.905801 0.223859 -1.717073 H 2.253958 0.845944 -2.014180 H 2.870079 -1.970403 -0.904309 H 3.117623 -2.434163 0.701464 H -2.139582 2.907562 1.474756