%chk=000059066.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059066

0 1
 O    2.536300     -1.1600000E-02  -1.097100    
 N    7.682200     -0.2557000      0.9972000    
 C  -0.9045000      0.7434000      0.2096000    
 C   -2.280000      0.1566000     -0.1114000    
 C   0.1939000      6.4000003E-02 -0.6052000    
 C   -3.374500      0.8160000      0.7304000    
 C    1.560600      0.6716000     -0.3225000    
 C   -4.739100      0.2694000      0.3973000    
 C   -5.492000      0.8757000     -0.5976000    
 C   -5.220800     -0.8308000       1.090900    
 C    3.804700     -7.1900003E-02 -0.5809000    
 C   -6.755100      0.3702000     -0.9057000    
 C   -6.483800      -1.336400      0.7827000    
 C   -7.250900     -0.7358000     -0.2156000    
 C    4.264400      0.9547000      0.2357000    
 C    4.617800      -1.158900     -0.8797000    
 C    5.555200      0.8935000      0.7608000    
 C    5.908500      -1.220200     -0.3546000    
 C    6.377300     -0.1939000      0.4656000    
 H  -0.9079000       1.819600     -1.8000000E-03
 H  -0.6941000      0.6245000       1.279400    
 H   -2.270600     -0.9252000      7.2899997E-02
 H   -2.495200      0.2929000      -1.178800    
 H   0.2196000      -1.010700     -0.3850000    
 H  -2.2800000E-02  0.1450000      -1.677800    
 H   -3.367600       1.902500      0.5742000    
 H   -3.169600      0.6680000       1.798700    
 H    1.754300      0.5715000      0.7535000    
 H    1.563500       1.733200     -0.5960000    
 H   -5.113900       1.736200      -1.142100    
 H   -4.630300      -1.306700       1.868600    
 H   -7.352300      0.8375000      -1.683300    
 H   -6.869800      -2.198000       1.319700    
 H   -8.234200      -1.129700     -0.4556000    
 H    3.667300       1.831600      0.4665000    
 H    4.256300      -1.960100      -1.518000    
 H    5.911400       1.702300       1.393800    
 H    6.539500      -2.072900     -0.5919000    
 H    8.279200      -1.043200      0.7829000    
 H    8.022600      0.4887000       1.591100    


%chk=000059066-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059066

0 1
O 2.523628 -0.638807 -0.394575
N 8.085023 0.264770 0.222798
C -0.982877 0.561713 0.497938
C -2.385888 0.065694 0.084445
C 0.151574 -0.274083 -0.137228
C -3.533021 0.892608 0.729598
C 1.539871 0.241912 0.249831
C -4.910429 0.411271 0.297587
C -5.508761 0.900475 -0.892876
C -5.608858 -0.571263 1.046432
C 3.890304 -0.344038 -0.188285
C -6.765763 0.421577 -1.325742
C -6.866547 -1.054321 0.618640
C -7.449780 -0.559738 -0.570959
C 4.379441 0.732488 0.589654
C 4.808943 -1.213448 -0.824745
C 5.771917 0.932874 0.724746
C 6.193641 -1.013277 -0.689204
C 6.703289 0.067442 0.090222
H -0.871951 1.627156 0.204814
H -0.894774 0.531424 1.604485
H -2.504299 -0.999859 0.366170
H -2.485374 0.108346 -1.018823
H 0.064655 -1.331771 0.177376
H 0.061180 -0.259754 -1.240416
H -3.397861 1.957161 0.452904
H -3.436544 0.832667 1.831732
H 1.677882 0.218292 1.352710
H 1.684690 1.287566 -0.098723
H -4.986428 1.665780 -1.481288
H -5.164606 -0.956255 1.973319
H -7.213067 0.814305 -2.246234
H -7.392074 -1.810855 1.212854
H -8.425979 -0.930822 -0.903044
H 3.695904 1.421550 1.095025
H 4.417325 -2.042509 -1.422804
H 6.136240 1.772135 1.330313
H 6.889675 -1.697673 -1.189953
H 8.744638 -0.356968 -0.233648
H 8.450662 1.033136 0.775855


