%chk=000010246.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010246

0 1
 O    2.380500      -2.540900     -0.1440000    
 N   -1.501000      0.6014000      0.5462000    
 N    1.385700     -0.4357000     -0.3978000    
 C  -0.7414000     -4.4399999E-02  -1.769300    
 C   -1.913800      1.9700000E-02 -0.7470000    
 C   0.3341000       1.839600     -0.6256000    
 C  -0.1733000       1.356700      -1.981500    
 C  -0.8474000       1.909200      0.3652000    
 C   -2.564800      -1.360300     -0.5360000    
 C   0.4281000     -0.9617000      -1.378300    
 C   -2.633900      0.7278000       1.475200    
 C    1.418000      0.9266000     -8.3800003E-02
 C   -3.743600      -1.274300      0.4286000    
 C   -3.305500     -0.6202000       1.732500    
 C    2.383500       1.413200      0.7148000    
 C    2.338600      -1.337300      0.1113000    
 C    3.380500      0.5453000       1.274700    
 C    3.375700     -0.7646000       1.014800    
 H   -1.151200     -0.4083000      -2.720700    
 H   -2.681400      0.6737000      -1.189000    
 H   0.7373000       2.852800     -0.7542000    
 H  -0.9470000       2.031900      -2.366800    
 H   0.6367000       1.342700      -2.721600    
 H  -0.4821000       2.271200       1.335100    
 H   -1.572200       2.651000      2.4000001E-03
 H   -1.842500      -2.075900     -0.1275000    
 H   -2.909800      -1.763000      -1.495600    
 H   7.9700001E-02  -1.943000      -1.042100    
 H    1.022500      -1.163800      -2.280900    
 H   -3.376800       1.437100       1.087200    
 H   -2.281300       1.120800       2.436600    
 H   -4.141400      -2.275900      0.6258000    
 H   -4.551700     -0.6890000     -2.6500000E-02
 H   -4.173700     -0.4823000       2.386800    
 H   -2.608900      -1.283900       2.260300    
 H    2.425300       2.463700      0.9822000    
 H    4.131800      0.9800000       1.924300    
 H    4.119000      -1.432500       1.433600    


%chk=000010246-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010246

0 1
O 2.327684 -2.547019 -0.249623
N -1.513802 0.601343 0.515626
N 1.422326 -0.378798 -0.394896
C -0.722287 -0.062319 -1.763956
C -1.935104 0.016051 -0.786966
C 0.337118 1.863495 -0.629296
C -0.155429 1.354581 -2.000522
C -0.869483 1.923523 0.348090
C -2.623437 -1.353047 -0.584023
C 0.419850 -0.997575 -1.313582
C -2.623949 0.692536 1.500904
C 1.436182 0.969161 -0.076901
C -3.797688 -1.262805 0.414747
C -3.290211 -0.672088 1.747948
C 2.431395 1.475280 0.759574
C 2.403820 -1.324590 0.108256
C 3.418769 0.596836 1.301135
C 3.403560 -0.757698 0.991813
H -1.113299 -0.475706 -2.714417
H -2.689002 0.696351 -1.279277
H 0.746923 2.886232 -0.715920
H -0.943043 2.026081 -2.392029
H 0.668800 1.335536 -2.738251
H -0.530523 2.272453 1.341191
H -1.592371 2.686412 -0.050175
H -1.889227 -2.083725 -0.195690
H -2.971018 -1.723008 -1.568456
H 0.045382 -1.903850 -0.810833
H 0.981674 -1.363415 -2.194308
H -3.406451 1.417715 1.148407
H -2.207842 1.093692 2.444578
H -4.244831 -2.261923 0.573319
H -4.595305 -0.610940 0.001568
H -4.122106 -0.547318 2.467118
H -2.551765 -1.359749 2.202822
H 2.436488 2.544063 0.989377
H 4.195366 0.997482 1.962867
H 4.145138 -1.455852 1.389181


