%chk=000080781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080781

0 1
 O    1.798400      -2.083100      0.5141000    
 N    1.546000      0.2436000      0.2107000    
 N   -2.662000      -1.879000     -0.8822000    
 C   0.1514000      0.2754000      0.1848000    
 C    2.291400       1.523600      1.3000000E-03
 C  -0.5618000     -0.8069000     -0.3305000    
 C   -2.637000      0.3401000      0.1328000    
 C   -1.956000     -0.7746000     -0.3564000    
 C  -0.5295000       1.390100      0.6742000    
 C   -1.923800       1.422400      0.6481000    
 C    2.303700     -0.9715000      0.3390000    
 C    2.500900       1.809200      -1.471500    
 C   -4.129900      0.4015000      0.1180000    
 C    3.808300     -0.8909000      0.2174000    
 H    1.800300       2.373000      0.4772000    
 H    3.264400       1.466300      0.4961000    
 H  -6.4700000E-02  -1.665400     -0.7719000    
 H  -3.4200002E-02   2.239200       1.130800    
 H   -2.439400       2.293900       1.043100    
 H    2.995100      0.9841000      -1.991100    
 H    1.542200       1.980300      -1.973000    
 H    3.111700       2.708200      -1.601000    
 H   -4.507300      0.3309000     -0.9075000    
 H   -4.553800     -0.4092000      0.7198000    
 H   -4.502400       1.343400      0.5356000    
 H    4.227600     -0.3698000       1.081800    
 H    4.113600     -0.4088000     -0.7112000    
 H    4.220600      -1.905500      0.2101000    
 H   -2.151500      -2.679800      -1.230500    
 H   -3.671900      -1.884900     -0.9123000    


%chk=000080781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080781

0 1
O 1.770125 -2.038385 0.717537
N 1.642476 0.253490 0.228202
N -2.661251 -1.718569 -1.122146
C 0.189463 0.276292 0.223830
C 2.335619 1.511923 -0.162115
C -0.540214 -0.725559 -0.448789
C -2.668221 0.359492 0.186337
C -1.960320 -0.703682 -0.462665
C -0.500087 1.323813 0.885300
C -1.911244 1.350300 0.847590
C 2.349124 -0.938372 0.462929
C 2.410372 1.696023 -1.693771
C -4.184392 0.397176 0.166841
C 3.879659 -0.861613 0.429895
H 1.789806 2.361546 0.281010
H 3.345836 1.521488 0.277050
H -0.005456 -1.545257 -0.935756
H 0.045763 2.087695 1.447713
H -2.442453 2.160743 1.361768
H 2.982102 0.877818 -2.167980
H 1.397202 1.704697 -2.132257
H 2.904133 2.653416 -1.943589
H -4.584219 0.456517 -0.866212
H -4.626308 -0.503609 0.640795
H -4.565074 1.274263 0.716464
H 4.274496 -0.260531 1.270097
H 4.266651 -0.431246 -0.510994
H 4.254951 -1.890315 0.533402
H -2.162602 -2.510722 -1.516436
H -3.675534 -1.743031 -1.118250


