%chk=000056251.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056251

0 1
 O    4.256100      0.1246000      0.5371000    
 N   0.3122000       1.467500     -0.2380000    
 C   0.7235000     -0.6841000      0.1273000    
 C  -0.2796000      0.2477000     -3.2699998E-02
 C    1.959400     -6.0000003E-04  1.4500000E-02
 C    1.675400       1.328300     -0.2106000    
 C   -1.714100      9.5299996E-02 -1.2400000E-02
 C   0.5454000      -2.131400      0.3716000    
 C    2.560700       2.493700     -0.4049000    
 C    3.283900     -0.5473000      0.1095000    
 C   -2.295000      -1.103700     -0.4254000    
 C   -2.520300       1.148300      0.4198000    
 C    3.570200      -1.993900     -0.3137000    
 C   -3.682000      -1.249700     -0.4065000    
 C   -3.907400       1.002200      0.4389000    
 C   -4.488200     -0.1969000      2.5699999E-02
 H  -0.1733000       2.339400     -0.4008000    
 H    1.342100      -2.531600       1.003800    
 H  -0.3703000      -2.346800      0.9304000    
 H   0.5295000      -2.692000     -0.5678000    
 H    3.058600       2.756600      0.5339000    
 H    3.329100       2.276500      -1.154000    
 H    2.005800       3.373400     -0.7478000    
 H   -1.715800      -1.929000     -0.8250000    
 H   -2.100800       2.091000      0.7616000    
 H    2.902200      -2.304300      -1.120300    
 H    3.483500      -2.658700      0.5479000    
 H    4.594000      -2.048600     -0.6979000    
 H   -4.135600      -2.178300     -0.7409000    
 H   -4.535600       1.820900      0.7778000    
 H   -5.568300     -0.3096000      3.8199998E-02


%chk=000056251-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056251

0 1
O 4.381053 0.326249 -0.167703
N 0.316000 1.445174 -0.253100
C 0.753287 -0.763135 0.012104
C -0.287457 0.178608 -0.090176
C 2.011831 -0.028969 -0.107839
C 1.691156 1.348878 -0.275849
C -1.753089 0.057389 -0.028034
C 0.552462 -2.233080 0.298845
C 2.563012 2.553072 -0.471339
C 3.409638 -0.500013 -0.097679
C -2.433054 -1.046786 -0.617613
C -2.537641 1.066288 0.605285
C 3.717780 -1.995150 -0.011004
C -3.839295 -1.144317 -0.562868
C -3.944773 0.974685 0.645484
C -4.604605 -0.134028 0.065351
H -0.205031 2.306605 -0.417161
H 1.239384 -2.588678 1.085670
H -0.476170 -2.423601 0.647981
H 0.724712 -2.866581 -0.593278
H 3.222769 2.707394 0.400170
H 3.241805 2.412796 -1.329918
H 1.956396 3.464483 -0.631446
H -1.856695 -1.809354 -1.151255
H -2.039884 1.906987 1.104676
H 3.117444 -2.584506 -0.725657
H 3.497398 -2.378153 1.003615
H 4.789755 -2.142978 -0.215260
H -4.340162 -2.001844 -1.026183
H -4.525831 1.759803 1.142419
H -5.696895 -0.208336 0.101060


