%chk=000056323.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056323

0 1
 O    2.142900     -0.3500000      -1.472100    
 O   -4.384300      -1.459500     -0.1225000    
 O  -0.1331000       3.039100     -0.5807000    
 N   0.6020000      0.9364000      0.2678000    
 N    3.541200      -1.299500      0.1170000    
 C    1.676000      0.1629000      0.8224000    
 C  -0.7156000      0.3030000      0.1652000    
 C    2.461200     -0.5085000     -0.2905000    
 C   0.7383000       2.309800     -0.1003000    
 C   -1.807600       1.096100      0.3409000    
 C  -0.7510000      -1.031800     -9.8499998E-02
 C   -3.061700      0.4933000      0.2432000    
 C   -2.005200      -1.634300     -0.1964000    
 C   -3.160600     -0.8718000     -2.5500000E-02
 C    3.897400      -1.471200       1.520000    
 C    4.391500      -2.012000     -0.8334000    
 C    2.092500       2.919000      0.1819000    
 C   -5.523800     -0.6209000      6.1400000E-02
 H    1.283700     -0.5844000       1.520800    
 H    2.349600      0.8015000       1.398000    
 H   -1.782700       2.138400      0.6314000    
 H   0.1193000      -1.657500     -0.2470000    
 H   -3.917800       1.139800      0.4045000    
 H   -2.076600      -2.697800     -0.4081000    
 H    4.135800     -0.4968000       1.955000    
 H    4.766500      -2.128000       1.621600    
 H    3.053700      -1.913400       2.056700    
 H    4.338600      -3.083400     -0.6201000    
 H    5.420600      -1.659000     -0.7198000    
 H    4.064000      -1.835200      -1.860800    
 H    2.891000       2.335700     -0.2824000    
 H    2.250500       3.001300       1.260400    
 H    2.130200       3.926700     -0.2444000    
 H   -5.557400     -0.2045000       1.073900    
 H   -6.411300      -1.251700     -5.4099999E-02
 H   -5.581100      0.1556000     -0.7089000    


%chk=000056323-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056323

0 1
O 2.445609 -0.158829 -1.465728
O -4.408248 -1.532307 -0.134682
O -0.069210 3.113397 -0.675277
N 0.619753 1.094086 0.290414
N 3.553597 -1.305619 0.233118
C 1.704382 0.273009 0.845884
C -0.681143 0.471085 0.162198
C 2.591315 -0.415262 -0.232069
C 0.855914 2.400328 -0.189475
C -1.863623 1.174379 0.490905
C -0.781565 -0.877593 -0.271176
C -3.124359 0.546563 0.399242
C -2.032241 -1.515152 -0.348512
C -3.211215 -0.805580 -0.014483
C 3.758179 -1.675947 1.642925
C 4.406627 -2.009494 -0.742815
C 2.286355 2.927454 -0.083643
C -5.655898 -0.824826 0.158708
H 1.245843 -0.491338 1.497337
H 2.351916 0.897142 1.489356
H -1.801487 2.219090 0.800836
H 0.114195 -1.418738 -0.591886
H -4.020665 1.120144 0.653200
H -2.119456 -2.551526 -0.688211
H 3.265959 -0.969746 2.326504
H 4.839710 -1.668678 1.874868
H 3.369954 -2.693106 1.851915
H 4.270143 -3.104787 -0.658702
H 5.473331 -1.770692 -0.569954
H 4.118328 -1.682439 -1.753018
H 2.988044 2.292387 -0.651388
H 2.633337 2.993657 0.965196
H 2.290768 3.938905 -0.514997
H -5.689298 -0.483080 1.212023
H -6.453174 -1.562186 -0.016463
H -5.794975 0.042699 -0.515550


