%chk=000056579.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056579

0 1
 O   -4.460300      -2.583000      0.3036000    
 O    4.905100     -0.8974000      0.1094000    
 N  -0.4291000       2.446200      0.1554000    
 C  -0.3042000       1.205200     -0.6383000    
 C   -1.410600      0.1851000     -0.3698000    
 C   -2.691500       1.944400      0.9182000    
 C   -2.558500      0.5530000      0.3582000    
 C   -1.801900       2.939700      0.1797000    
 C    1.096900      0.6396000     -0.4376000    
 C   -1.339300      -1.111300     -0.9086000    
 C   -3.570600     -0.3884000      0.5940000    
 C    1.971500      0.5634000      -1.516500    
 C    1.490000      0.2045000      0.8237000    
 C   -3.469200      -1.678400      7.6899998E-02
 C   -2.358200      -2.037100     -0.6802000    
 C    3.253800      4.6100002E-02  -1.332100    
 C    2.772300     -0.3126000       1.008100    
 C    3.654200     -0.3920000     -6.9799997E-02
 C    5.249500      -1.327100       1.425700    
 H  -0.4208000       1.491500      -1.693800    
 H   -3.732600       2.280300      0.8429000    
 H   -2.424400       1.917600       1.982200    
 H   -2.165500       3.113700     -0.8409000    
 H   -1.831700       3.903000      0.7004000    
 H   0.1816000       3.159900     -0.2423000    
 H  -0.4884000      -1.414800      -1.513100    
 H   -4.445700     -0.1104000       1.177000    
 H    1.673200      0.9005000      -2.505100    
 H   0.8146000      0.2591000       1.673400    
 H   -2.271800      -3.035300      -1.101300    
 H    3.936200     -1.3400000E-02  -2.175600    
 H    3.018000     -0.6349000       2.014200    
 H   -4.226000      -3.422300     -0.1287000    
 H    5.238600     -0.4940000       2.136700    
 H    6.278400      -1.699400       1.385500    
 H    4.620300      -2.161200       1.754000    


%chk=000056579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056579

0 1
O -4.609265 -2.570285 0.183700
O 4.978318 -0.973053 0.035923
N -0.502313 2.406587 0.275808
C -0.319678 1.231741 -0.610297
C -1.447015 0.211394 -0.355646
C -2.836822 1.987236 0.872433
C -2.648685 0.581062 0.314780
C -1.860852 2.983254 0.219036
C 1.081267 0.653018 -0.412390
C -1.318698 -1.108355 -0.850343
C -3.680042 -0.373490 0.476640
C 1.947920 0.444294 -1.514452
C 1.542242 0.311147 0.880875
C -3.531850 -1.683899 -0.019599
C -2.344338 -2.061895 -0.690264
C 3.236386 -0.097273 -1.337739
C 2.829884 -0.231784 1.080162
C 3.679827 -0.439482 -0.037018
C 5.481958 -1.345634 1.359420
H -0.401426 1.526465 -1.691134
H -3.882690 2.318731 0.725469
H -2.645567 1.974144 1.963338
H -2.192729 3.194811 -0.828444
H -1.864865 3.940602 0.770427
H 0.247111 3.096319 0.143076
H -0.392317 -1.399794 -1.357935
H -4.611963 -0.107828 0.987411
H 1.612157 0.712265 -2.524343
H 0.879744 0.483234 1.735784
H -2.219039 -3.081686 -1.077153
H 3.912013 -0.259754 -2.182971
H 3.156527 -0.486626 2.092999
H -4.405331 -3.458565 -0.200812
H 5.534027 -0.468601 2.033912
H 6.494827 -1.736233 1.181679
H 4.855175 -2.132267 1.823168


