%chk=000050475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050475

0 1
 O    3.753100      4.4000000E-02  0.3116000    
 O    5.414800       2.300600      0.2204000    
 O    2.771100      -1.408400      -1.171900    
 N   0.5238000      -1.403600      0.4708000    
 N    1.671400     -0.6768000      0.7361000    
 C   -1.913600      -1.304900      0.1471000    
 C  -0.6247000     -0.5133000      0.3717000    
 C   -3.108000     -0.3932000      2.0199999E-02
 C   -3.819500     -4.0700000E-02   1.157100    
 C   -3.475500      7.7399999E-02  -1.231300    
 C   -4.924600      0.8022000       1.039700    
 C   -4.580500      0.9205000      -1.348800    
 C   -5.305100       1.282900     -0.2132000    
 C    4.929600      7.1199998E-02 -0.5047000    
 C    2.732900     -0.7452000     -0.1399000    
 C    5.954800      0.9873000      0.1353000    
 H   -1.827800      -1.922400     -0.7572000    
 H   -2.077600      -2.009600      0.9733000    
 H  -0.7195000      8.6199999E-02   1.286900    
 H  -0.4758000      0.1883000     -0.4596000    
 H   0.3930000      -2.047400       1.250300    
 H   -3.529900     -0.4083000       2.137400    
 H   -2.916500     -0.1975000      -2.121200    
 H   -5.488600       1.084900       1.923800    
 H   -4.876500       1.295300      -2.324200    
 H    1.713600     -0.1179000       1.582200    
 H   -6.165300       1.939600     -0.3046000    
 H    5.337900     -0.9413000     -0.5949000    
 H    4.657800      0.4527000      -1.495700    
 H    6.872200       1.019400     -0.4594000    
 H    6.187800      0.6550000       1.151800    
 H    6.093300       2.861200      0.6338000    


%chk=000050475-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050475

0 1
O 3.805119 0.037471 0.331873
O 5.696051 2.333101 0.167118
O 2.636807 -1.282002 -1.240480
N 0.521677 -1.357610 0.732088
N 1.759604 -0.721627 0.897250
C -1.909207 -1.316609 0.280795
C -0.648352 -0.466749 0.577875
C -3.134043 -0.441709 0.059437
C -4.014400 -0.129842 1.127019
C -3.396147 0.116119 -1.218936
C -5.126952 0.718761 0.925613
C -4.506597 0.964574 -1.425530
C -5.376101 1.270212 -0.352270
C 4.887878 0.214700 -0.662175
C 2.702153 -0.722992 -0.124504
C 6.044772 0.912324 0.030660
H -1.694182 -1.933082 -0.611008
H -2.087584 -2.010772 1.126958
H -0.834772 0.171790 1.475503
H -0.448580 0.209733 -0.272145
H 0.391320 -2.135965 1.389894
H -3.830849 -0.560096 2.119923
H -2.728365 -0.122205 -2.056385
H -5.799292 0.945959 1.760910
H -4.696312 1.382806 -2.420626
H 1.954431 -0.119671 1.707481
H -6.239460 1.926053 -0.511205
H 5.192521 -0.776536 -1.045433
H 4.518017 0.822552 -1.507134
H 6.952825 0.789485 -0.599348
H 6.225426 0.434277 1.015806
H 6.360694 2.785749 0.743876


