%chk=000117577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117577

0 1
 O   -1.153800      0.4510000      0.1062000    
 O    2.174900     -0.3785000     -0.3904000    
 O   -2.513400      0.2206000      -1.716300    
 O    3.115200      -1.849700       1.110000    
 N   -3.115200     -0.7614000      0.3040000    
 N    3.245500      -2.210100      -1.157200    
 C   0.9631000       1.674900      0.1607000    
 C  -0.2520000       1.222900     -0.6768000    
 C    1.725800      0.4377000      0.6846000    
 C   0.4925000       2.535100       1.348900    
 C    1.886000       2.526900     -0.7293000    
 C   -2.280600     -1.1300000E-02 -0.5311000    
 C    2.865700      -1.506800     -4.0899999E-02
 C   -4.364000      -1.346300     -0.1744000    
 C   -2.789700      -1.005000       1.702000    
 H  -0.7835000       2.104600      -1.058000    
 H   7.6099999E-02  0.6290000      -1.539100    
 H    2.595500      0.7634000       1.269900    
 H    1.079500     -0.1570000       1.342400    
 H    1.345900       2.902300       1.930100    
 H  -7.7399999E-02   3.405800       1.005900    
 H  -0.1476000       1.963200       2.029600    
 H    1.371900       3.427900      -1.082600    
 H    2.778100       2.847000     -0.1793000    
 H    2.220100       1.970900      -1.612100    
 H   -4.316100      -2.431600     -4.8599999E-02
 H   -4.528000      -1.114400      -1.229700    
 H   -5.191500     -0.9417000      0.4150000    
 H   -2.722100      -2.085600       1.860100    
 H   -3.594900     -0.5996000       2.322200    
 H   -1.848000     -0.5484000       2.012100    
 H    3.014900      -1.885000      -2.090000    
 H    3.768400      -3.076300      -1.083600    


%chk=000117577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117577

0 1
O -1.152874 0.477376 0.152428
O 2.157209 -0.356884 -0.411809
O -2.530795 0.203905 -1.730406
O 3.062211 -1.894646 1.130122
N -3.081332 -0.779887 0.332976
N 3.165821 -2.239077 -1.191480
C 0.966363 1.711314 0.157550
C -0.235904 1.271897 -0.704532
C 1.701774 0.480412 0.728077
C 0.491137 2.571426 1.357373
C 1.915730 2.538747 -0.747833
C -2.289906 -0.026462 -0.512806
C 2.823975 -1.541867 -0.051451
C -4.316943 -1.373234 -0.197932
C -2.764187 -1.042594 1.743718
H -0.783652 2.148642 -1.096866
H 0.088576 0.645745 -1.553192
H 2.584232 0.784902 1.320944
H 1.034502 -0.124949 1.366068
H 1.348124 2.883322 1.983194
H -0.013693 3.485974 0.995819
H -0.223292 2.015980 1.989319
H 1.394246 3.421693 -1.161847
H 2.782443 2.900713 -0.164622
H 2.298798 1.931158 -1.585908
H -4.283409 -2.477518 -0.121564
H -4.421107 -1.087652 -1.255245
H -5.197127 -1.008369 0.366254
H -2.669390 -2.131905 1.921156
H -3.567451 -0.652934 2.399740
H -1.817636 -0.555270 2.009927
H 2.917209 -1.883344 -2.111084
H 3.657650 -3.122115 -1.091789


