%chk=000153659.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153659

0 1
 O   -2.192400       3.180300       1.142400    
 N   -4.592100     -0.8286000      -1.583600    
 N    1.285900      -1.501700      0.2655000    
 N    4.752900     -0.1452000      0.1485000    
 C   -2.252600      -1.006200      -1.218600    
 C   -2.560100      0.4905000      -1.509400    
 C   -3.610200      -1.609700     -0.8209000    
 C   -4.106500      0.5608000      -1.634900    
 C   -1.149400      -1.283100     -0.2094000    
 C   -3.847900      -1.603900      0.6633000    
 C   -1.975300       1.495100     -0.5415000    
 C   0.2680000      -1.246200     -0.7618000    
 C   -1.435000      -1.546000       1.091500    
 C   -4.813600       1.416800     -0.6148000    
 C   -2.825400      -1.567700       1.529500    
 C   -2.723500       2.269200      0.2588000    
 C   -4.160300       2.199000      0.2539000    
 C  -0.3315000      -1.746800       2.019700    
 C    2.675600      -1.411400     -0.1565000    
 C   0.9323000      -1.714100       1.582200    
 C    3.346500     -0.2345000      0.5402000    
 C    4.869800      8.2699999E-02  -1.298700    
 C    5.432400      0.9126000      0.9096000    
 C    6.335600      0.1298000      -1.733000    
 C    6.916500      0.9867000      0.5474000    
 C    7.112300       1.183300     -0.9516000    
 C   -1.352200       2.538300       2.082100    
 H   -1.967800      -1.476400      -2.172300    
 H   -2.129700      0.7223000      -2.494500    
 H   -3.672500      -2.655300      -1.149100    
 H   -4.364700      0.9733000      -2.619100    
 H   -4.612900      -1.191200      -2.538100    
 H   -4.865700      -1.668900       1.036600    
 H  -0.8941000       1.599700     -0.5341000    
 H   0.3600000      -2.007100      -1.546300    
 H   0.4563000     -0.2674000      -1.217000    
 H   -5.900400       1.407400     -0.6022000    
 H   -3.023900      -1.590200       2.596800    
 H   -4.713200       2.804700      0.9643000    
 H  -0.5491000      -1.928500       3.066700    
 H    3.190700      -2.348600      9.0499997E-02
 H    2.687800      -1.322000      -1.245400    
 H    1.759600      -1.884000       2.261300    
 H    2.809900      0.6963000      0.3107000    
 H    3.296100     -0.3669000       1.627300    
 H    4.365600       1.012400      -1.593600    
 H    4.434300     -0.7311000      -1.883000    
 H    5.355300      0.7070000       1.984200    
 H    4.960800       1.887800      0.7295000    
 H    6.398100      0.3466000      -2.805500    
 H    6.797700     -0.8537000      -1.578100    
 H    7.418400      6.3199997E-02  0.8634000    
 H    7.390200       1.810600       1.093100    
 H    8.177300       1.129200      -1.202500    
 H    6.763200       2.182900      -1.238300    
 H  -0.4025000       2.231400       1.631200    
 H   -1.846800       1.680200       2.552600    
 H   -1.119800       3.259300       2.872100    


%chk=000153659-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153659

0 1
O -3.011286 2.850878 1.822454
N -4.535049 -0.912000 -1.788143
N 1.295422 -1.447708 0.403486
N 4.838916 -0.082132 -0.052816
C -2.169245 -0.885925 -1.231833
C -2.646373 0.653277 -1.330665
C -3.504307 -1.658910 -1.005184
C -4.192840 0.552127 -1.675097
C -1.103391 -1.164178 -0.197500
C -3.849179 -1.774392 0.470279
C -2.296356 1.483808 -0.109963
C 0.337815 -0.828470 -0.548790
C -1.451292 -1.545494 1.084194
C -5.121402 1.218085 -0.672614
C -2.875463 -1.751010 1.423155
C -3.248871 2.078422 0.667614
C -4.684401 1.937919 0.394791
C -0.417340 -1.762443 2.094676
C 2.720355 -1.427267 0.043266
C 0.903957 -1.737596 1.705619
C 3.402550 -0.055799 0.305524
C 5.071862 0.080563 -1.512195
C 5.647188 0.887391 0.733133
C 6.559005 -0.122157 -1.866301
C 7.152916 0.708313 0.451316
C 7.448905 0.849936 -1.059088
C -1.617648 2.980855 2.245248
H -1.790706 -1.161374 -2.238507
H -2.123435 1.094568 -2.202401
H -3.444862 -2.685579 -1.425630
H -4.386663 1.013577 -2.664834
H -4.515511 -1.212988 -2.774063
H -4.904716 -1.933446 0.718889
H -1.233542 1.567563 0.138558
H 0.582085 -1.195120 -1.571039
H 0.487237 0.286643 -0.590687
H -6.192445 1.069580 -0.853786
H -3.130367 -1.895091 2.481214
H -5.376326 2.407199 1.102623
H -0.683385 -2.029819 3.120147
H 3.262058 -2.196999 0.622109
H 2.814500 -1.698914 -1.026099
H 1.717384 -2.000883 2.390652
H 2.849057 0.754056 -0.233656
H 3.315457 0.163028 1.386750
H 4.749782 1.101785 -1.853000
H 4.453544 -0.654995 -2.058403
H 5.440908 0.719575 1.806718
H 5.354338 1.945794 0.497665
H 6.701000 0.029282 -2.953770
H 6.842391 -1.166383 -1.632038
H 7.459650 -0.298507 0.795109
H 7.727335 1.453394 1.034783
H 8.518959 0.658440 -1.264525
H 7.238941 1.892031 -1.378801
H -1.013782 3.503071 1.475802
H -1.170069 1.987746 2.448833
H -1.645265 3.579672 3.167919


