%chk=000007011.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000007011 0 1 O -1.526700 -1.588500 1.153900 N -3.085300 -1.200100 -0.4881000 C -1.130500 0.2378000 -0.4043000 C -1.641400 1.561500 0.2001000 C 0.3631000 3.7599999E-02 -0.2118000 C -1.906700 -0.9426000 0.1801000 C -0.9815000 2.790200 -0.4131000 C 0.9607000 0.5169000 0.9377000 C 1.082900 -0.6180000 -1.191700 C 2.332100 0.3332000 1.114200 C 2.454300 -0.8019000 -1.015000 C 3.079000 -0.3263000 0.1379000 H -1.329500 0.2742000 -1.485100 H -1.556700 1.585100 1.292300 H -2.720100 1.633300 4.3000001E-03 H -1.470000 3.696800 -4.0600002E-02 H -1.079900 2.783800 -1.503600 H 7.9800002E-02 2.868200 -0.1645000 H 0.4140000 1.009100 1.733400 H 0.6048000 -0.9936000 -2.091300 H 2.817900 0.6976000 2.014600 H 3.035600 -1.316100 -1.774800 H 4.146400 -0.4709000 0.2762000 H -3.694800 -1.956800 -0.1961000 H -3.391400 -0.6507000 -1.284600 %chk=000007011-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000007011 0 1 O -2.381163 -0.449591 1.706799 N -2.582119 -1.711982 -0.225933 C -1.286261 0.396207 -0.345693 C -1.629179 1.849122 0.098149 C 0.205299 0.070531 -0.187827 C -2.128724 -0.606635 0.475265 C -0.898329 2.925057 -0.728919 C 0.793558 -0.012598 1.101750 C 1.024824 -0.129873 -1.326685 C 2.170547 -0.289919 1.243438 C 2.404974 -0.405169 -1.186260 C 2.982554 -0.485926 0.101021 H -1.551088 0.290150 -1.417746 H -1.385087 1.948871 1.171225 H -2.724782 1.990258 0.016891 H -1.175944 3.936797 -0.381487 H -1.158656 2.856011 -1.802800 H 0.198157 2.824260 -0.641084 H 0.163356 0.124436 1.988320 H 0.584134 -0.060883 -2.329531 H 2.611060 -0.356422 2.244826 H 3.025540 -0.553946 -2.077368 H 4.051422 -0.699753 0.213616 H -3.102826 -2.430129 0.277765 H -2.355165 -1.859072 -1.207631