%chk=000071234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071234

0 1
 O    2.853100      -1.775900       1.157600    
 O  -0.6577000      0.1590000       1.312900    
 N    1.246700      -1.488600     -0.4899000    
 N   -1.575200      -1.775300      0.4198000    
 N    4.081300       2.170500      0.7367000    
 N   -4.616700      0.5804000      -1.188200    
 C   0.5831000      -2.757100     -0.3008000    
 C  -0.4968000      -2.657200      0.7781000    
 C   4.3099999E-02  -3.283600      -1.627000    
 C    2.341600      -1.101600      0.2675000    
 C   -1.566000     -0.4190000      0.7217000    
 C    2.894100      0.2446000     -3.1599998E-02
 C   -2.767100      0.3507000      0.3067000    
 C    2.739700      0.7836000      -1.285700    
 C    3.554800      0.9425000      0.9430000    
 C   -3.123900       1.484400      0.9954000    
 C   -3.513600     -7.2899997E-02 -0.7595000    
 C    3.267600       2.045200      -1.536400    
 C   -4.253000       2.184000      0.5841000    
 C    3.923400       2.691300     -0.5009000    
 C   -4.958500       1.694800     -0.5035000    
 H    1.334100      -3.473600      5.5700000E-02
 H  -6.0199998E-02  -2.314700       1.723700    
 H  -0.9383000      -3.643700      0.9581000    
 H  -0.6782000      -2.591300      -2.074900    
 H   0.8574000      -3.414600      -2.348400    
 H  -0.4487000      -4.252500      -1.492500    
 H   0.8101000     -0.8345000      -1.131100    
 H   -2.383100      -2.201800     -2.0500001E-02
 H    2.252200      0.2628000      -2.102900    
 H    3.694700      0.5564000       1.947000    
 H   -2.556300       1.844500       1.847700    
 H   -3.267100     -0.9391000      -1.362700    
 H    3.175200       2.505700      -2.513400    
 H   -4.571500       3.083000       1.099200    
 H    4.354500       3.676500     -0.6456000    
 H   -5.846700       2.203600     -0.8636000    


%chk=000071234-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071234

0 1
O 2.815570 -1.843441 1.155914
O -0.738307 0.194480 1.312907
N 1.328775 -1.503913 -0.600743
N -1.595331 -1.777064 0.411949
N 4.235198 2.147212 0.822685
N -4.978781 0.471584 -1.056326
C 0.619640 -2.772653 -0.346972
C -0.435806 -2.604476 0.788732
C 0.018919 -3.320100 -1.654103
C 2.379105 -1.104828 0.216470
C -1.673491 -0.424671 0.714382
C 2.977892 0.241963 -0.080621
C -2.940900 0.284667 0.302647
C 2.947932 0.853926 -1.358620
C 3.641886 0.928660 0.970791
C -3.228747 1.530765 0.915820
C -3.841882 -0.187771 -0.688019
C 3.558353 2.115274 -1.529962
C -4.398652 2.224795 0.549061
C 4.184063 2.722724 -0.417186
C -5.247161 1.656308 -0.430899
H 1.380305 -3.472487 0.046400
H 0.056744 -2.131434 1.655190
H -0.799478 -3.603675 1.092547
H -0.721010 -2.617986 -2.084481
H 0.810239 -3.489046 -2.404281
H -0.491988 -4.283145 -1.472544
H 0.861252 -0.806621 -1.183409
H -2.411982 -2.242946 0.015024
H 2.490170 0.346689 -2.215951
H 3.692360 0.469459 1.963165
H -2.524631 1.922221 1.657020
H -3.652394 -1.115411 -1.244726
H 3.562395 2.613837 -2.504188
H -4.653642 3.185462 1.006554
H 4.672527 3.699532 -0.509812
H -6.171044 2.158611 -0.738616


