%chk=000004076.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004076

0 1
 O    1.435700      -2.422700      0.4793000    
 O    1.361800       2.341800     -7.9999998E-04
 O    2.785800     -3.0200001E-02  0.1244000    
 N   -4.984100     -0.2016000     -0.6406000    
 C   -1.353100     -6.0300000E-02  0.4669000    
 C   -2.839300     -7.1000002E-02  0.5903000    
 C  -0.6769000       1.146500      0.2880000    
 C  -0.6394000      -1.257100      0.5299000    
 C   -3.531200     -0.2185000     -0.7722000    
 C   0.7507000      -1.247000      0.4139000    
 C   0.7131000       1.156400      0.1718000    
 C    1.426800     -4.0300000E-02  0.2348000    
 C    1.659500      -3.111700     -0.7492000    
 C   0.5579000       3.518700     -5.4400001E-02
 C    3.332900      0.4969000      -1.082100    
 H   -3.147800     -0.8876000       1.256900    
 H   -3.174800      0.8509000       1.084200    
 H   -1.284800       2.044000      0.2440000    
 H   -1.161500      -2.200900      0.6683000    
 H   -3.229900      -1.156300      -1.253000    
 H   -3.229200      0.5936000      -1.443500    
 H   -5.275100      0.6666000     -0.1922000    
 H   -5.277600     -0.9503000     -1.4000000E-02
 H    2.245800      -2.495000      -1.437300    
 H   0.7071000      -3.389100      -1.211900    
 H    2.221700      -4.024200     -0.5325000    
 H   2.9200001E-02   3.690400      0.8894000    
 H  -0.1180000       3.507300     -0.9164000    
 H    1.237200       4.365900     -0.1958000    
 H    3.602700       1.547500     -0.9437000    
 H    2.647700      0.3872000      -1.930100    
 H    4.246900     -5.9999999E-02  -1.308600    


%chk=000004076-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004076

0 1
O 1.102436 -2.666466 0.188386
O 1.382122 2.221197 -0.153971
O 2.703534 -0.210565 -0.149983
N -5.289702 -0.034915 -0.509029
C -1.519159 -0.098012 0.486164
C -3.022539 -0.065402 0.703071
C -0.801673 1.108300 0.269130
C -0.826924 -1.322430 0.433395
C -3.824908 -0.062666 -0.644547
C 0.566142 -1.372655 0.165720
C 0.586619 1.072365 0.021306
C 1.296401 -0.168054 -0.037132
C 2.359408 -2.982990 -0.510077
C 0.732904 3.522371 0.011331
C 3.281897 0.345609 -1.391507
H -3.344597 -0.944372 1.294793
H -3.312753 0.837055 1.277889
H -1.335007 2.062877 0.316700
H -1.344185 -2.273881 0.593466
H -3.543744 -0.959529 -1.227855
H -3.510824 0.811048 -1.246846
H -5.662912 0.818114 -0.081849
H -5.694788 -0.878901 -0.093278
H 3.225758 -2.540429 0.004777
H 2.332005 -2.628355 -1.558727
H 2.409966 -4.083361 -0.492562
H 0.291644 3.623342 1.021596
H -0.051207 3.684380 -0.754061
H 1.536291 4.262697 -0.119004
H 3.052934 1.420472 -1.476787
H 2.896494 -0.197286 -2.278043
H 4.368167 0.190342 -1.298665


