%chk=000055856.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055856

0 1
 O    1.977600       3.821400      0.4052000    
 N    2.789700      -2.663600     -0.2768000    
 C   0.3913000      -1.846700     -0.6673000    
 C    1.920000      -1.653200     -0.8730000    
 C  -0.2120000     -0.4450000      -1.014900    
 C   5.6600001E-02  -2.332000      0.7594000    
 C    2.101100     -0.2289000     -0.4135000    
 C   0.8846000      0.4727000     -0.5146000    
 C   0.9815000      -3.458600       1.197000    
 C    2.433500      -3.011800       1.096100    
 C   -1.635000     -0.2206000     -0.5565000    
 C    3.269400      0.4162000     -3.6200002E-02
 C   0.8355000       1.836600     -0.2647000    
 C    2.005100       2.485600      0.1369000    
 C   -2.701400     -0.5628000      -1.390100    
 C   -1.886700      0.3304000      0.7017000    
 C    3.211600       1.780100      0.2543000    
 C   -4.014200     -0.3550000     -0.9675000    
 C   -3.199700      0.5382000       1.124400    
 C   -4.263600      0.1955000      0.2898000    
 C   -5.667300      0.4178000      0.7421000    
 C   0.7223000       4.483800      0.2683000    
 H   1.5300000E-02  -2.604600      -1.367900    
 H    2.122200      -1.657800      -1.953100    
 H  -0.1972000     -0.3315000      -2.110000    
 H  -0.9828000      -2.677400      0.8036000    
 H   0.1537000      -1.515000       1.484200    
 H   0.7531000      -3.742300       2.230500    
 H   0.8126000      -4.345900      0.5744000    
 H    3.765500      -2.377000     -0.3297000    
 H    2.624600      -2.167900       1.769700    
 H    3.081400      -3.831600       1.425200    
 H    4.215100     -0.1115000      2.3300000E-02
 H  -0.1125000       2.340100     -0.4076000    
 H   -2.520600     -0.9944000      -2.371000    
 H   -1.084700      0.5906000       1.385800    
 H    4.117100       2.300500      0.5564000    
 H   -4.834600     -0.6248000      -1.627400    
 H   -3.381200      0.9653000       2.107100    
 H   -6.000000       1.420100      0.4550000    
 H   -6.346900     -0.3180000      0.2986000    
 H   -5.752400      0.3174000       1.829400    
 H   0.3696000       4.467500     -0.7685000    
 H   0.8806000       5.534200      0.5342000    
 H  -2.2299999E-02   4.087100      0.9671000    


%chk=000055856-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055856

0 1
O 2.057086 3.892343 0.425400
N 2.754706 -2.758493 -0.315034
C 0.392636 -1.903806 -0.644059
C 1.924967 -1.695271 -0.902083
C -0.210534 -0.491079 -1.022948
C 0.124680 -2.299861 0.829963
C 2.120792 -0.233554 -0.455964
C 0.890972 0.460008 -0.539693
C 1.033696 -3.462873 1.286283
C 2.513746 -3.065920 1.109942
C -1.637587 -0.228124 -0.559744
C 3.293694 0.449695 -0.079159
C 0.809308 1.841077 -0.269375
C 1.995280 2.519762 0.115035
C -2.719782 -0.533200 -1.424157
C -1.948201 0.279905 0.728522
C 3.230774 1.828606 0.215293
C -4.059218 -0.349033 -1.018810
C -3.287296 0.467790 1.132745
C -4.369082 0.158794 0.268567
C -5.808169 0.390033 0.697080
C 0.814357 4.660968 0.330028
H -0.001006 -2.693152 -1.311064
H 2.092505 -1.736414 -2.001184
H -0.217150 -0.448079 -2.135603
H -0.942474 -2.559069 0.955074
H 0.319367 -1.428348 1.487040
H 0.832589 -3.708994 2.346744
H 0.834207 -4.368785 0.681841
H 3.747356 -2.678773 -0.563254
H 2.736065 -2.206403 1.789934
H 3.176464 -3.902154 1.400086
H 4.252620 -0.078363 -0.005679
H -0.149450 2.362199 -0.348811
H -2.508018 -0.924661 -2.427715
H -1.136014 0.528895 1.420722
H 4.116855 2.393049 0.521727
H -4.874324 -0.598726 -1.709497
H -3.498046 0.856996 2.136930
H -6.142998 1.413946 0.439149
H -6.497260 -0.314618 0.198852
H -5.929453 0.271507 1.788409
H 0.409075 4.646891 -0.700571
H 1.089947 5.689602 0.605990
H 0.047817 4.278885 1.032453


