%chk=000053393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053393

0 1
 O    4.975800       1.735700     -0.1305000    
 N    4.205300     -0.2256000     -0.2232000    
 N    4.403400      0.8508000      0.5168000    
 C  -0.8071000      0.2437000     -0.1158000    
 C   -2.136100     -0.4815000      0.1093000    
 C   0.3807000     -0.6932000      0.1137000    
 C   -3.326600      0.4446000     -0.1506000    
 C    1.739800     -1.7600000E-02 -0.1048000    
 C   -4.653200     -0.2735000      0.1063000    
 C    2.958700     -0.9289000      5.3300001E-02
 C   -5.878800      0.6025000     -0.1623000    
 C   -7.199400     -9.8399997E-02  0.1166000    
 C    5.337400      -1.158600     -0.1287000    
 H  -0.7347000       1.101500      0.5635000    
 H  -0.7701000      0.6365000      -1.139000    
 H   -2.178500     -0.8563000       1.139200    
 H   -2.197900      -1.352200     -0.5548000    
 H   0.3410000      -1.090500       1.135500    
 H   0.2987000      -1.552400     -0.5636000    
 H   -3.296900      0.8009000      -1.187300    
 H   -3.257700       1.326700      0.4973000    
 H    1.749900      0.4163000      -1.113800    
 H    1.800800      0.8241000      0.5968000    
 H   -4.680900     -0.6188000       1.147300    
 H   -4.709500      -1.168800     -0.5255000    
 H    2.846600      -1.767000     -0.6468000    
 H    2.959100      -1.355800       1.066000    
 H   -5.821600       1.505800      0.4567000    
 H   -5.866600      0.9327000      -1.207800    
 H   -7.309000     -0.9879000     -0.5118000    
 H   -7.263000     -0.4081000       1.164500    
 H   -8.038100      0.5728000     -9.2500001E-02
 H    6.277700     -0.6737000     -0.4200000    
 H    5.200400      -1.999400     -0.8189000    
 H    5.459400      -1.562800      0.8841000    


%chk=000053393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053393

0 1
O 5.496414 1.523545 -0.468407
N 4.269825 -0.330185 -0.078458
N 4.313159 1.031605 -0.336911
C -0.809061 0.226508 -0.078249
C -2.162794 -0.493158 0.113364
C 0.408021 -0.707908 0.105505
C -3.382087 0.433020 -0.095968
C 1.755088 0.026297 -0.081361
C -4.736492 -0.284853 0.099681
C 2.936663 -0.948064 0.084906
C -5.956573 0.637489 -0.124991
C -7.305119 -0.087501 0.074913
C 5.479344 -1.160904 0.040779
H -0.735936 1.069746 0.639464
H -0.773440 0.677543 -1.091666
H -2.205648 -0.930078 1.133220
H -2.227691 -1.347311 -0.593200
H 0.366278 -1.164199 1.117063
H 0.333232 -1.546164 -0.619104
H -3.341400 0.865674 -1.117652
H -3.316836 1.290337 0.606421
H 1.796400 0.495812 -1.081323
H 1.843508 0.851179 0.648872
H -4.783492 -0.709001 1.124778
H -4.798950 -1.148050 -0.596069
H 2.847257 -1.771236 -0.654965
H 2.895647 -1.416659 1.091025
H -5.892650 1.501055 0.568300
H -5.909893 1.058808 -1.150083
H -7.404677 -0.938366 -0.625541
H -7.390540 -0.488819 1.102556
H -8.160795 0.591771 -0.094715
H 6.349961 -0.499179 -0.102543
H 5.483341 -1.953306 -0.730147
H 5.528935 -1.631849 1.039705


