%chk=000039330.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039330

0 1
 O    1.338100      -2.050100      -1.037400    
 N    2.958800      0.1398000     -0.6377000    
 N    5.330000      0.6756000      0.9271000    
 C    3.079200     -0.3283000      0.7483000    
 C    3.739400       1.367600     -0.8333000    
 C    4.548500     -0.5517000       1.122500    
 C    5.208700       1.145500     -0.4584000    
 C    1.557400      0.3535000     -0.9937000    
 C   -3.596700       1.437800      -1.028600    
 C   -4.148400       2.262000      0.1341000    
 C   -2.792900      0.2427000     -0.5789000    
 C   -5.411200       1.676200      0.7633000    
 C   -5.215200      0.3324000       1.462800    
 C   -4.839000     -0.8080000      0.5176000    
 C   -3.376400     -0.8122000      0.1470000    
 C  -0.6477000     -0.9099000     -0.5126000    
 C   0.7649000     -0.9559000     -0.8551000    
 C   -1.426600      0.1787000     -0.9027000    
 C    6.731500      0.4605000       1.281500    
 C   -2.578700      -1.904200      0.5301000    
 C   -1.224000      -1.951800      0.2040000    
 H    2.565600      -1.280600      0.9128000    
 H    2.633200      0.3977000       1.442500    
 H    3.327600       2.193500     -0.2374000    
 H    3.694600       1.671300      -1.886200    
 H    4.594000     -0.8541000       2.176000    
 H    4.959800      -1.378100      0.5270000    
 H    5.663000      0.4289000      -1.156200    
 H    5.741800       2.097000     -0.5750000    
 H    1.114400       1.126300     -0.3543000    
 H    1.473700      0.6671000      -2.040800    
 H   -2.959700       2.095400      -1.634000    
 H   -4.401300       1.108300      -1.697300    
 H   -3.380300       2.412500      0.9028000    
 H   -4.406800       3.257300     -0.2494000    
 H   -6.193300       1.582700     -3.9999999E-04
 H   -5.788300       2.393800       1.502600    
 H   -6.167100      7.3200002E-02   1.943600    
 H   -4.475100      0.4314000       2.266700    
 H   -5.448900     -0.7849000     -0.3938000    
 H   -5.087000      -1.754000       1.016200    
 H  -0.9872000      0.9897000      -1.479100    
 H    7.301300       1.390400       1.177200    
 H    7.204700     -0.3057000      0.6568000    
 H    6.820100      0.1537000       2.329600    
 H   -3.009800      -2.730000       1.091500    
 H  -0.6361000      -2.808800      0.5222000    


%chk=000039330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039330

0 1
O 1.313561 -2.069532 0.502421
N 3.036225 0.092310 -0.152137
N 5.793713 0.712949 0.494699
C 3.569077 -0.126057 1.217324
C 3.753442 1.204634 -0.822595
C 5.079004 -0.401370 1.164702
C 5.261986 0.913148 -0.873467
C 1.582459 0.269066 -0.195711
C -3.503867 1.693245 -0.724088
C -4.407368 2.276978 0.401484
C -2.828626 0.374562 -0.371452
C -5.804026 1.620810 0.506155
C -5.807093 0.117327 0.869701
C -5.112571 -0.800750 -0.178855
C -3.592795 -0.804227 -0.108723
C -0.736125 -0.885847 0.058538
C 0.761317 -0.987744 0.150193
C -1.418830 0.312187 -0.286468
C 7.257037 0.529924 0.506969
C -2.908800 -1.999778 0.232985
C -1.506098 -2.048673 0.320923
H 3.055773 -0.996272 1.656512
H 3.386618 0.770876 1.863649
H 3.598000 2.178608 -0.290965
H 3.367165 1.308624 -1.854720
H 5.467550 -0.501661 2.195666
H 5.245688 -1.373268 0.634792
H 5.430948 0.011817 -1.517217
H 5.786091 1.770260 -1.337670
H 1.226460 1.095233 0.480880
H 1.295916 0.575952 -1.221925
H -2.722911 2.435675 -0.974735
H -4.124433 1.572138 -1.637250
H -3.878911 2.196364 1.372078
H -4.548719 3.358616 0.206019
H -6.331492 1.752803 -0.462433
H -6.400147 2.170579 1.261888
H -6.860457 -0.211596 0.971125
H -5.331531 -0.034647 1.858850
H -5.446174 -0.483754 -1.189697
H -5.473660 -1.837048 -0.041441
H -0.851702 1.227351 -0.492188
H 7.746984 1.409902 0.051866
H 7.596006 -0.381300 -0.049804
H 7.611509 0.442599 1.549973
H -3.494345 -2.905520 0.432112
H -0.979249 -2.971293 0.585537


