%chk=000081913.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081913

0 1
 O    5.519800     -0.6952000       1.436400    
 O   -5.518100     -0.6960000      -1.436600    
 N    6.635500      -1.599800     -0.3902000    
 N   -6.633800      -1.600300      0.3902000    
 N    4.715300     -0.4046000     -0.7515000    
 N   -4.713700     -0.4048000      0.7514000    
 C    7.955700      -1.665500      0.1644000    
 C    7.089500      -2.860700      0.1185000    
 C   -7.087600      -2.861400     -0.1182000    
 C   -7.954100      -1.666100     -0.1643000    
 C    5.602000     -0.8736000      0.2233000    
 C   -5.600400     -0.8741000     -0.2235000    
 C    3.545200      0.3659000     -0.5648000    
 C   -3.543600      0.3657000      0.5645000    
 C   6.9999998E-04   2.699800     -3.9999999E-04
 C    1.235500       1.886800     -0.1973000    
 C   -1.253800       1.873700      0.1998000    
 C    2.777600      0.7459000      -1.665900    
 C   -2.776100      0.7460000       1.665500    
 C    3.157900      0.7463000      0.7199000    
 C   -3.156300      0.7460000     -0.7203000    
 C    1.622800       1.506400      -1.482000    
 C   -1.621400       1.506500       1.481500    
 C    2.003000       1.506800      0.9039000    
 C   -2.001500       1.506400     -0.9043000    
 H    8.734900      -1.552200     -0.5751000    
 H    8.095400      -1.150500       1.103600    
 H    7.251200      -3.598700     -0.6534000    
 H    6.603800      -3.196100       1.023400    
 H   -7.249300      -3.599200      0.6538000    
 H   -6.601800      -3.196900      -1.023000    
 H   -8.093700      -1.151300      -1.103700    
 H   -8.733200      -1.552900      0.5751000    
 H    4.938100     -0.6466000      -1.714000    
 H   -4.936500     -0.6466000       1.713800    
 H  -0.1411000       3.378000     -0.8536000    
 H   0.1313000       3.378200      0.8545000    
 H    3.068400      0.4561000      -2.672400    
 H   -3.066900      0.4564000       2.672100    
 H    3.699700      0.4906000       1.619500    
 H   -3.698100      0.4901000      -1.619800    
 H    1.034800       1.796000      -2.348900    
 H   -1.030900       1.798200       2.345000    
 H    1.712400       1.797300       1.910100    
 H   -1.707500       1.798700      -1.908200    


%chk=000081913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081913

0 1
O 6.430500 0.487348 0.925605
O -6.427297 0.489528 -0.932052
N 7.044168 -1.365778 -0.453637
N -7.045264 -1.356103 0.455389
N 4.904752 -0.476674 -0.605708
N -4.905550 -0.467446 0.607621
C 8.219227 -1.737391 0.382109
C 7.103081 -2.751941 0.158930
C -7.105353 -2.744194 -0.153137
C -8.219720 -1.728944 -0.380795
C 6.125641 -0.375181 0.052390
C -6.124994 -0.368469 -0.053523
C 3.725715 0.292732 -0.407429
C -3.725484 0.299997 0.407823
C 0.001958 2.576567 -0.003110
C 1.286069 1.758045 -0.124351
C -1.283596 1.760858 0.121011
C 2.590056 -0.029141 -1.200431
C -2.592105 -0.017795 1.205725
C 3.637053 1.350957 0.533470
C -3.633473 1.352058 -0.539660
C 1.392023 0.693766 -1.057401
C -1.392933 0.702836 1.060755
C 2.424201 2.061706 0.661334
C -2.419593 2.060737 -0.669205
H 9.160778 -1.838121 -0.165288
H 8.289465 -1.257304 1.364847
H 7.239223 -3.573654 -0.551032
H 6.437093 -2.961373 1.005206
H -7.243377 -3.563385 0.559349
H -6.438391 -2.957038 -0.997777
H -8.288180 -1.251869 -1.365126
H -9.162203 -1.826932 0.165534
H 4.880896 -1.169414 -1.357961
H -4.883789 -1.156451 1.363357
H -0.091528 3.243713 -0.883648
H 0.096794 3.246917 0.874846
H 2.648292 -0.848065 -1.929556
H -2.652973 -0.831801 1.940122
H 4.509240 1.604543 1.139234
H -4.503985 1.602718 -1.149027
H 0.523988 0.426967 -1.671443
H -0.526586 0.439096 1.678500
H 2.368854 2.878949 1.391483
H -2.361592 2.873127 -1.404542


