%chk=000091795.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091795

0 1
 O   -2.863200      0.8086000      0.2633000    
 O   -2.100600       1.723500      -1.703700    
 O  -0.7711000      -3.203200      -1.011300    
 N   -1.317500      -1.269900      0.1658000    
 N    3.099700      0.1714000      0.2384000    
 N    5.048500       1.574900      0.2870000    
 N    5.249500     -0.6939000      0.2030000    
 C   0.3620000      0.1506000     -0.9199000    
 C   -1.097000     -0.3209000     -0.8956000    
 C   0.7799000      0.9451000      0.3271000    
 C    2.247200       1.360500      0.2836000    
 C   -2.065700      0.8526000     -0.8406000    
 C   -1.134500      -2.636200      1.5900001E-02
 C   -3.803900       1.879400      0.3936000    
 C   -1.409600      -3.394600       1.286800    
 C    4.380800      0.3712000      0.2437000    
 C   -4.604400       1.680900       1.663000    
 H   0.5218000      0.7805000      -1.804500    
 H    1.012700     -0.7249000      -1.036800    
 H   -1.311500     -0.8397000      -1.838700    
 H   0.1632000       1.846300      0.4206000    
 H   0.6077000      0.3404000       1.225600    
 H    2.419100       1.989900     -0.5980000    
 H    2.464000       1.951600       1.181600    
 H   -1.603200     -0.9103000       1.072300    
 H   -3.266700       2.833400      0.4403000    
 H   -4.476400       1.882100     -0.4714000    
 H   -1.480300      -4.463800       1.069500    
 H  -0.5950000      -3.223400       1.995700    
 H   -2.353700      -3.064700       1.729700    
 H   -5.335000       2.483800       1.794500    
 H   -5.132700      0.7220000       1.639200    
 H   -3.943200       1.657600       2.535500    
 H    6.062200       1.610300      0.2870000    
 H    4.561000       2.463200      0.3181000    
 H    4.906900      -1.647900      0.1688000    
 H    6.254600     -0.5591000      0.2072000    


%chk=000091795-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091795

0 1
O -2.829833 0.819313 0.291531
O -2.312759 1.587509 -1.846403
O -0.491601 -3.132670 -1.076754
N -1.331830 -1.337078 0.133370
N 3.032820 0.251198 0.198081
N 5.067091 1.569355 0.376159
N 5.113921 -0.771668 0.580187
C 0.318194 0.193043 -1.019574
C -1.130880 -0.386745 -0.969573
C 0.703263 1.051690 0.200641
C 2.190881 1.463409 0.153994
C -2.140963 0.757325 -0.927061
C -0.987324 -2.670110 -0.002102
C -3.810065 1.940934 0.437245
C -1.238762 -3.543763 1.224506
C 4.328494 0.373865 0.364402
C -4.444784 1.800963 1.816605
H 0.410717 0.789761 -1.947926
H 1.017808 -0.657526 -1.092698
H -1.287664 -0.939955 -1.915893
H 0.077143 1.966773 0.245766
H 0.533675 0.476762 1.131192
H 2.362180 2.045079 -0.784117
H 2.402997 2.154422 1.005813
H -1.778507 -0.990817 0.983361
H -3.262248 2.892545 0.314250
H -4.547132 1.860258 -0.381548
H -1.840792 -4.418594 0.925648
H -0.272156 -3.923151 1.599840
H -1.753792 -3.013671 2.044546
H -5.177860 2.613134 1.973314
H -4.972190 0.836515 1.913442
H -3.682524 1.865858 2.612043
H 5.971495 1.615225 0.839792
H 4.603318 2.441666 0.140779
H 4.583684 -1.641890 0.611811
H 6.051587 -0.811662 0.181631


