%chk=000058858.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058858

0 1
 O  -0.2410000       2.393600     -0.4918000    
 N  -0.5882000      0.2437000      0.1937000    
 N   -2.065400       2.014800      0.8269000    
 N   -3.585500      -3.381300       1.492100    
 N   -3.847600     -4.7100000E-02  -1.342500    
 C    1.826600     -0.1933000      0.1224000    
 C    1.931100      0.2210000       1.569000    
 C    3.362100      0.5285000       2.006300    
 C    4.308300     -0.5714000       1.542800    
 C    4.327200     -0.6527000      1.7600000E-02
 C    2.949500     -0.6429000     -0.5967000    
 C   0.5690000     -0.1833000     -0.4998000    
 C    2.797500      -1.038200      -1.934400    
 C   0.4297000     -0.5884000      -1.826800    
 C   -1.319100     -0.7680000      0.9657000    
 C    1.543900      -1.013200      -2.544600    
 C   -1.023500       1.534000      0.2224000    
 C   -2.258000      -1.597100      7.7699997E-02
 C  -0.9727000       3.608600     -0.5272000    
 C   -1.993300       3.456600      0.5730000    
 C   -3.001800      -2.594700      0.8698000    
 C   -3.148800     -0.7294000     -0.7157000    
 H    1.328500       1.114100       1.766800    
 H    1.539700     -0.5937000       2.190500    
 H    3.683000       1.490000       1.585700    
 H    3.400900      0.6259000       3.097000    
 H    3.987800      -1.532700       1.964000    
 H    5.321500     -0.3801000       1.913500    
 H    4.861800      -1.562900     -0.2794000    
 H    4.883400      0.2040000     -0.3835000    
 H    3.659700      -1.368300      -2.509100    
 H  -0.5380000     -0.5681000      -2.320300    
 H  -0.6123000      -1.438800       1.473400    
 H   -1.888600     -0.2982000       1.779800    
 H    1.438000      -1.322700      -3.580100    
 H   -1.643900      -2.163800     -0.6343000    
 H   -1.439800       3.709800      -1.512400    
 H  -0.3067000       4.459800     -0.3600000    
 H   -1.671300       3.969300       1.486100    
 H   -2.965800       3.862500      0.2788000    


%chk=000058858-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058858

0 1
O -0.407714 2.580524 -0.716793
N -0.561863 0.441343 0.286051
N -2.164029 2.167234 0.780074
N -3.057742 -3.468828 1.876912
N -3.720948 -0.638071 -1.502673
C 1.833779 -0.228007 0.167303
C 1.989659 0.058646 1.657993
C 3.463125 0.225322 2.087872
C 4.307011 -0.949291 1.548598
C 4.309767 -0.931995 0.005264
C 2.929147 -0.703912 -0.609786
C 0.587433 0.001544 -0.485771
C 2.755123 -0.929286 -1.998675
C 0.429857 -0.214928 -1.873255
C -1.281510 -0.520046 1.122686
C 1.521854 -0.681051 -2.634725
C -1.104143 1.714300 0.158409
C -1.978624 -1.643872 0.254172
C -1.178266 3.870353 -0.665593
C -2.356363 3.579326 0.331752
C -2.595392 -2.659893 1.133280
C -2.959278 -1.088900 -0.704780
H 1.397920 0.954837 1.922521
H 1.554869 -0.778923 2.245073
H 3.866200 1.179679 1.694061
H 3.522931 0.277000 3.191011
H 3.877568 -1.902776 1.916881
H 5.345261 -0.894292 1.925372
H 4.737442 -1.873348 -0.390781
H 4.983462 -0.120913 -0.342118
H 3.605662 -1.296246 -2.586892
H -0.535570 -0.001132 -2.344124
H -0.592564 -1.034606 1.815861
H -2.040890 0.029399 1.701365
H 1.408734 -0.851375 -3.710497
H -1.182859 -2.141343 -0.339808
H -1.511590 4.089808 -1.692669
H -0.482220 4.650230 -0.316178
H -2.334917 4.256646 1.204455
H -3.342422 3.682741 -0.155448


