%chk=000000916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000916

0 1
 O    6.923800      0.6048000       1.229000    
 N    1.702800      -1.015300      0.2887000    
 N   -4.412500      0.1832000     -0.3034000    
 N    5.695400      0.2636000     -0.7165000    
 N   -9.299200      0.8122000     -0.3011000    
 C  -0.7265000     -0.6992000      0.3937000    
 C   -1.950800     -0.1373000     -0.3364000    
 C   0.5495000     -0.4675000     -0.4155000    
 C   -3.266000     -0.3632000      0.4124000    
 C    2.924300     -0.8100000     -0.4767000    
 C    4.150600      -1.383600      0.2367000    
 C   -5.646500     -5.7700001E-02  0.4313000    
 C   -6.868200      0.4989000     -0.3032000    
 C    5.450100      -1.163600     -0.5398000    
 C   -8.175800      0.2744000      0.4583000    
 C    6.412100       1.012600      0.1897000    
 C    6.537000       2.447700     -0.2472000    
 H  -0.8677000      -1.773500      0.5670000    
 H  -0.6397000     -0.2212000       1.377500    
 H   -2.020000     -0.5994000      -1.329700    
 H   -1.807100      0.9388000     -0.4985000    
 H   0.4455000     -0.9501000      -1.394900    
 H   0.6827000      0.6084000     -0.5828000    
 H   -3.190200      9.7999997E-02   1.405000    
 H   -3.401600      -1.441700      0.5595000    
 H    3.066200      0.2637000     -0.6475000    
 H    2.833800      -1.291700      -1.458100    
 H    1.790600     -0.5751000       1.204100    
 H    4.013000      -2.461000      0.3913000    
 H    4.240300     -0.9275000       1.231100    
 H   -4.284700       1.184400     -0.4475000    
 H   -5.588600      0.4059000       1.424000    
 H   -5.788100      -1.135600      0.5775000    
 H   -6.937500      2.9200001E-02  -1.293500    
 H   -6.727700       1.574900     -0.4729000    
 H    6.292200      -1.610500     -1.3000000E-03
 H    5.392200      -1.613600      -1.535900    
 H   -8.334700     -0.7964000      0.6237000    
 H   -8.130800      0.7617000       1.438400    
 H    5.322300      0.7078000      -1.550500    
 H   -10.15600      0.7015000      0.2396000    
 H   -9.174100       1.814700     -0.4359000    
 H    5.551700       2.856100     -0.4900000    
 H    6.972700       3.042100      0.5607000    
 H    7.184400       2.508500      -1.126300    


%chk=000000916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000916

0 1
O 7.571810 0.276799 0.958768
N 1.656204 -0.859333 0.198693
N -4.582757 0.107438 -0.194452
N 5.902751 0.316277 -0.666065
N -9.500821 0.835826 -0.285683
C -0.821933 -0.649562 0.332260
C -2.107905 -0.131530 -0.347947
C 0.445132 -0.380840 -0.502319
C -3.377134 -0.425548 0.475036
C 2.921349 -0.679527 -0.540436
C 4.115421 -1.202759 0.282113
C -5.853266 -0.151006 0.517610
C -7.047838 0.456697 -0.242106
C 5.475198 -1.076484 -0.441966
C -8.393148 0.221268 0.474319
C 6.930084 0.903516 0.061055
C 7.241933 2.355645 -0.298337
H -0.897573 -1.738816 0.515752
H -0.713149 -0.168183 1.328091
H -2.224375 -0.590473 -1.348929
H -2.022841 0.964727 -0.510391
H 0.372046 -0.924052 -1.466040
H 0.494574 0.710588 -0.756466
H -3.243744 -0.023800 1.514178
H -3.501262 -1.522514 0.577615
H 3.101880 0.391326 -0.827626
H 2.848753 -1.252981 -1.487707
H 1.719092 -0.464664 1.148708
H 3.934019 -2.268545 0.518989
H 4.176597 -0.661313 1.247475
H -4.475795 1.110192 -0.408878
H -5.844301 0.238658 1.569774
H -5.984561 -1.249724 0.591595
H -7.098764 0.029766 -1.259338
H -6.887557 1.551550 -0.359087
H 6.267619 -1.542369 0.168811
H 5.434786 -1.604230 -1.415879
H -8.583232 -0.868185 0.532031
H -8.308087 0.588552 1.528335
H 5.412004 0.874033 -1.365709
H -10.436621 0.582441 0.045269
H -9.401900 1.848396 -0.413116
H 6.579534 2.771746 -1.077719
H 7.159800 2.976478 0.610177
H 8.287180 2.422917 -0.646355


