%chk=000118059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118059

0 1
 O   0.9164000       1.336400       1.617200    
 N   -1.662200      0.7087000     -0.5027000    
 N   0.4332000       1.707700      -1.129700    
 C   -2.399200       1.303100      -1.613800    
 C  -0.2967000      0.9591000     -0.3633000    
 C   -2.444300     -3.9000001E-02  0.4715000    
 C   -1.434300       1.586300      -2.755500    
 C   0.4414000      0.2991000      0.7863000    
 C  -0.2493000       2.387600      -2.236200    
 C   -2.494100      -1.519600      0.1041000    
 C   -3.345800      -2.340400       1.075800    
 C    1.568200     -0.5462000      0.2742000    
 C   -3.429800      -3.797000      0.6465000    
 C    1.343500      -1.885000     -2.9999999E-02
 C    2.830500      1.4300000E-02  0.1065000    
 C  -0.1443000       2.149000       2.112000    
 C    2.392000      -2.671800     -0.5069000    
 C    3.879000     -0.7725000     -0.3704000    
 C   0.4364000       3.235800       2.991500    
 C    3.659700      -2.115500     -0.6771000    
 H   -2.871900       2.232800      -1.276300    
 H   -3.191700      0.6323000      -1.964000    
 H   -2.108800      0.1096000       1.500200    
 H   -3.471800      0.3505000      0.4718000    
 H   -1.077900      0.6391000      -3.180200    
 H   -1.943700       2.134000      -3.555300    
 H  -0.1778000     -0.3508000       1.405100    
 H  -0.5670000       3.383100      -1.905100    
 H   0.4695000       2.531600      -3.050100    
 H   -1.496700      -1.941600      6.5300003E-02
 H   -2.906300      -1.626000     -0.9077000    
 H   -4.357900      -1.922600       1.127600    
 H   -2.917200      -2.282500       2.082900    
 H   -3.885600      -3.888700     -0.3444000    
 H   -4.039600      -4.366100       1.355100    
 H   -2.435100      -4.253000      0.6112000    
 H   0.3880000      -2.361100      0.1249000    
 H    3.027000       1.059100      0.3301000    
 H  -0.8291000       1.539000       2.710200    
 H  -0.7010000       2.640200       1.308700    
 H    2.223900      -3.719800     -0.7373000    
 H    4.865900     -0.3393000     -0.5046000    
 H    1.134600       3.859100       2.422900    
 H    1.002700       2.799300       3.820800    
 H  -0.3529000       3.872900       3.400400    
 H    4.476500      -2.728400      -1.046900    


%chk=000118059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118059

0 1
O 1.198550 1.758394 1.657987
N -1.910597 0.799861 -0.217582
N -0.065940 2.271636 -0.769025
C -2.748324 1.400663 -1.286268
C -0.620535 1.333233 -0.030032
C -2.377326 -0.491954 0.332279
C -1.879043 1.813926 -2.492343
C 0.191673 0.806522 1.187865
C -0.766914 2.758064 -1.982731
C -2.133173 -1.702578 -0.604369
C -2.674760 -3.020850 -0.007696
C 0.959116 -0.470876 0.856651
C -2.429998 -4.234089 -0.930603
C 0.823367 -1.634302 1.649694
C 1.857793 -0.477489 -0.239606
C 0.642429 3.028050 2.164019
C 1.561778 -2.801253 1.345369
C 2.599050 -1.640020 -0.542456
C 1.811795 3.814294 2.755875
C 2.449496 -2.807375 0.244880
H -3.275969 2.291718 -0.886674
H -3.516208 0.666283 -1.585971
H -1.886112 -0.684466 1.300623
H -3.462798 -0.403589 0.543029
H -1.428757 0.908039 -2.940771
H -2.496495 2.308113 -3.265443
H -0.523418 0.611938 2.020398
H -1.193578 3.759647 -1.764280
H -0.001278 2.915322 -2.765708
H -1.046742 -1.798417 -0.791179
H -2.615550 -1.517074 -1.586196
H -3.761494 -2.919929 0.194422
H -2.187889 -3.201696 0.972588
H -2.928103 -4.096636 -1.908977
H -2.816900 -5.167914 -0.482834
H -1.348888 -4.370206 -1.119853
H 0.151047 -1.624968 2.517776
H 1.968096 0.437277 -0.831791
H -0.130264 2.812791 2.938225
H 0.171801 3.576080 1.325201
H 1.451676 -3.696884 1.967452
H 3.296454 -1.638039 -1.388118
H 2.573962 3.997270 1.979055
H 2.285817 3.253916 3.580527
H 1.464138 4.789797 3.143835
H 3.025414 -3.709431 0.008058


