%chk=000047287.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047287

0 1
 O   -1.217400      -2.163500     -0.1414000    
 O   0.4300000      -1.733700      -1.886700    
 O   0.1871000       1.257000       1.725400    
 O    3.922300      -1.324500       1.061800    
 N    2.212500      -1.455400     -0.4696000    
 N    2.090900      3.8100000E-02   1.335100    
 C   0.4239000      0.2239000     -0.4556000    
 C   -1.109300      0.1992000     -0.5383000    
 C   -1.757500     -0.9144000      0.2930000    
 C   0.9635000       1.352000      -1.353000    
 C   -3.283200     -0.9664000      0.1421000    
 C   0.9850000      -1.086300     -0.9992000    
 C   0.8523000      0.5459000      0.9726000    
 C   -3.953100      0.3439000      0.5697000    
 C   0.5223000       2.685900     -0.8495000    
 C    2.826400     -0.9291000      0.6606000    
 C   -5.461700      0.2815000      0.3873000    
 C    1.366000       3.645800     -0.4542000    
 H   -1.415900      7.8699999E-02  -1.586600    
 H   -1.518500       1.153100     -0.1979000    
 H   -1.504600     -0.7979000       1.352400    
 H   0.6084000       1.226600      -2.384200    
 H    2.059800       1.308400      -1.407400    
 H   -3.677800      -1.799800      0.7373000    
 H   -3.540300      -1.198700     -0.8995000    
 H   -3.591800       1.185500     -2.8300000E-02
 H   -3.719200      0.5579000       1.618700    
 H    2.676100      -2.247000     -0.9068000    
 H    2.464900      0.3475000       2.227900    
 H  -0.5358000       2.930200     -0.8708000    
 H   -1.608300      -2.860500      0.4126000    
 H   -5.723600      0.1062000     -0.6610000    
 H   -5.895900     -0.5229000      0.9895000    
 H   -5.921100       1.224700      0.6992000    
 H   0.9888000       4.610400     -0.1323000    
 H    2.438900       3.489100     -0.4406000    


%chk=000047287-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047287

0 1
O -0.890777 -1.742904 0.698952
O 0.341565 -1.239105 -2.315296
O 0.469043 1.187994 1.868670
O 3.647899 -2.031671 0.848391
N 1.999652 -1.562807 -0.740529
N 2.114983 -0.315785 1.261380
C 0.396294 0.345819 -0.436634
C -1.159681 0.378077 -0.410690
C -1.778891 -0.551707 0.653026
C 0.955018 1.576077 -1.280292
C -3.229710 -0.956587 0.330529
C 0.862668 -0.893438 -1.224608
C 0.957153 0.435311 0.985862
C -4.210196 0.240694 0.288298
C 0.792761 2.931985 -0.630312
C 2.657534 -1.349808 0.480576
C -5.673587 -0.205040 0.084306
C 1.795077 3.837283 -0.511025
H -1.501584 0.078458 -1.418598
H -1.503232 1.407628 -0.217321
H -1.741772 -0.047952 1.641917
H 0.405638 1.538567 -2.242722
H 2.023742 1.407017 -1.513297
H -3.582313 -1.673719 1.103381
H -3.243669 -1.493990 -0.638316
H -3.919212 0.929172 -0.528887
H -4.126478 0.818186 1.231696
H 2.351253 -2.344475 -1.302178
H 2.541822 -0.187157 2.184338
H -0.208029 3.192593 -0.260274
H -1.245239 -2.392126 1.356297
H -5.786862 -0.775993 -0.856275
H -6.010566 -0.854925 0.913697
H -6.355744 0.663193 0.037285
H 1.626000 4.821431 -0.061062
H 2.813537 3.621102 -0.857984


