%chk=000058393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058393

0 1
 O   -3.157100       1.004100      0.5983000    
 N   -1.305000     -0.1989000       1.177400    
 N   -2.386100     -0.5014000     -0.9346000    
 C  -0.2149000      -1.148100      0.8898000    
 C   0.9763000     -0.4768000      0.2890000    
 C    1.794700      -1.147100     -0.6203000    
 C   0.1289000      -1.915800       2.178200    
 C    1.266800      0.8389000      0.6504000    
 C    2.375600       1.484000      0.1024000    
 C   -2.254800      4.8200000E-02  0.2329000    
 C    2.903500     -0.5019000      -1.168100    
 C    3.193900      0.8136000     -0.8068000    
 C    1.503900      -2.556000      -1.022000    
 C   -3.900500       1.272800     -0.5797000    
 C   -3.611500      9.3999997E-02  -1.475200    
 C    2.686500       2.890600      0.4882000    
 H  -0.6158000      -1.896800      0.1978000    
 H   -1.298600      0.3071000       2.057700    
 H   0.9064000      -2.667200       2.010300    
 H  -0.7580000      -2.425100       2.571400    
 H   0.4898000      -1.235100       2.958300    
 H   0.6564000       1.375600       1.371900    
 H    3.551300      -1.009300      -1.877900    
 H    4.061600       1.304300      -1.239600    
 H    1.453400      -3.218900     -0.1539000    
 H   0.5676000      -2.611500      -1.586700    
 H    2.290800      -2.955800      -1.672000    
 H   -3.548200       2.215300      -1.011600    
 H   -4.965200       1.364700     -0.3464000    
 H   -4.420900     -0.6432000      -1.434000    
 H   -3.483500      0.4019000      -2.517300    
 H    1.767600       3.470200      0.6284000    
 H    3.259800       2.906500       1.420400    
 H    3.269700       3.397900     -0.2878000    


%chk=000058393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058393

0 1
O -3.292143 0.891834 0.317533
N -1.366497 -0.123146 1.176016
N -2.301680 -0.837372 -0.929310
C -0.180604 -1.010745 1.146730
C 1.010271 -0.378124 0.401752
C 1.514552 -0.944994 -0.806686
C 0.181117 -1.414604 2.593650
C 1.607299 0.794430 0.926334
C 2.703009 1.434593 0.300194
C -2.266476 -0.086006 0.145577
C 2.611907 -0.301551 -1.434511
C 3.198613 0.864495 -0.898365
C 0.900700 -2.184060 -1.440737
C -4.143684 0.772117 -0.907930
C -3.519061 -0.433739 -1.697515
C 3.338927 2.675973 0.903797
H -0.500810 -1.912042 0.599147
H -1.438701 0.601312 1.889727
H 1.047648 -2.097927 2.592423
H -0.671687 -1.922242 3.077965
H 0.456674 -0.534096 3.204652
H 1.207538 1.232092 1.851902
H 3.005703 -0.721120 -2.368467
H 4.042912 1.337237 -1.415459
H 1.021747 -3.081228 -0.802510
H -0.183001 -2.039717 -1.613653
H 1.384172 -2.403232 -2.408555
H -4.078403 1.730053 -1.451212
H -5.179415 0.595389 -0.574931
H -4.221157 -1.285956 -1.764137
H -3.237563 -0.145194 -2.726280
H 2.584790 3.328196 1.380158
H 4.079836 2.409128 1.682900
H 3.867863 3.271045 0.138698


