%chk=000039446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039446

0 1
 O   8.3499998E-02 -0.6635000     -0.8281000    
 N    2.562900      0.1433000      0.2623000    
 N    4.051100       1.865700      0.6910000    
 N    4.900200     -1.9900000E-02 -0.2672000    
 C   -1.180900     -0.4548000     -0.3700000    
 C   0.8937000      -1.586200     -0.1013000    
 C   -3.095200      0.9934000     -9.6400000E-02
 C   -1.799000      0.7802000     -0.5656000    
 C    2.354700      -1.208600     -0.2635000    
 C   -1.858900      -1.476600      0.2948000    
 C   -3.773300     -2.8400000E-02  0.5683000    
 C   -3.155300      -1.263400      0.7640000    
 C   -3.756300       2.313500     -0.3056000    
 C    3.772800      0.6053000      0.2174000    
 H   0.6581000      -1.568300      0.9710000    
 H   0.7297000      -2.595700     -0.4947000    
 H   -1.265700       1.572000      -1.086000    
 H    2.611600      -1.230900      -1.329400    
 H    2.974100      -1.936100      0.2735000    
 H   -1.425200      -2.460900      0.4439000    
 H   -4.784600      0.1243000      0.9355000    
 H   -3.686200      -2.060900       1.275700    
 H   -3.022400       3.126600     -0.3078000    
 H   -4.289600       2.319300      -1.261400    
 H   -4.470800       2.529900      0.4959000    
 H    3.320700       2.451900       1.080400    
 H    4.990600       2.246800      0.6649000    
 H    5.802500      0.4433000     -0.2506000    
 H    4.874900     -0.9555000     -0.6568000    


%chk=000039446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039446

0 1
O 0.510532 -0.585539 -0.317899
N 3.482173 -0.849139 0.740484
N 4.565155 1.201345 1.081038
N 2.815416 1.137842 -0.491314
C -0.862099 -0.404788 -0.064621
C 1.175568 -1.786226 0.245552
C -2.808314 1.050536 -0.445801
C -1.438334 0.761934 -0.626988
C 2.667807 -1.725560 -0.120012
C -1.652169 -1.303114 0.691309
C -3.601813 0.148754 0.316378
C -3.024481 -1.010158 0.872578
C -3.429300 2.294515 -1.059328
C 3.580466 0.432671 0.441381
H 1.054892 -1.795264 1.346589
H 0.699698 -2.688293 -0.191357
H -0.800175 1.435553 -1.209768
H 2.738241 -1.471408 -1.204122
H 3.059541 -2.754632 0.001212
H -1.223836 -2.206169 1.133943
H -4.666651 0.359726 0.469710
H -3.642803 -1.699301 1.459090
H -2.665315 2.953935 -1.505522
H -4.149654 2.027809 -1.856099
H -3.983852 2.879866 -0.302809
H 5.181939 0.676792 1.699552
H 4.369169 2.173467 1.315415
H 3.162234 1.996287 -0.911762
H 1.903666 0.754356 -0.752629


