%chk=000055985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055985

0 1
 O   -1.086400       2.969600      0.4231000    
 O    1.309100       1.791100      0.5417000    
 O   -3.082800      -2.972100      0.7594000    
 O   -3.304900      -2.613700      -1.394900    
 N    5.109500     -0.6488000     -0.3974000    
 N    1.496400      4.0199999E-02 -0.9684000    
 N   -4.793000     -7.1800001E-02  0.2998000    
 N   -2.992900      -2.227100     -0.2444000    
 C    3.668300     -0.7353000     -0.1639000    
 C    2.917700      0.1329000      -1.162900    
 C    5.646600      0.5859000      0.1731000    
 C    5.789800      -1.812400      0.1701000    
 C  -0.6632000      0.6478000     -7.1999999E-03
 C    7.132400      0.7221000     -0.1133000    
 C    5.610300      -1.872100       1.677600    
 C   0.7982000      0.8903000     -0.1188000    
 C   -3.401500      0.1529000      0.1940000    
 C   -1.544000       1.696600      0.2580000    
 C   -2.520700     -0.8957000     -7.1599998E-02
 C   -1.151500     -0.6485000     -0.1719000    
 C   -2.913100       1.449000      0.3587000    
 C   -5.534300     -0.6072000     -0.8228000    
 C   -5.493000      0.2441000       1.527100    
 C  -0.9970000       3.782300     -0.7452000    
 H    3.389900     -0.4483000      0.8585000    
 H    3.316800      -1.766800     -0.3045000    
 H    3.122700     -0.1959000      -2.188100    
 H    3.200200       1.187400      -1.088400    
 H    5.170600       1.445400     -0.3126000    
 H    5.448300      0.7086000       1.243800    
 H    5.378300      -2.727000     -0.2766000    
 H    6.852300      -1.837900     -9.3999997E-02
 H    1.003800     -0.6547000      -1.519500    
 H    7.742900      5.7200000E-02  0.5050000    
 H    7.360800      0.5342000      -1.168100    
 H    7.456500       1.744500      0.1116000    
 H    6.067200      -2.799400       2.044700    
 H    4.564400      -1.907600       1.994700    
 H    6.117100      -1.061100       2.207800    
 H  -0.4830000      -1.487800     -0.3484000    
 H   -3.591600       2.274700      0.5605000    
 H   -5.003000     -0.4767000      -1.772200    
 H   -5.754300      -1.668800     -0.6733000    
 H   -6.492300     -8.4500000E-02 -0.9243000    
 H   -4.922000     -8.6999997E-02   2.401500    
 H   -5.665700       1.322200       1.608200    
 H   -6.467400     -0.2551000       1.565400    
 H  -0.3465000       3.320000      -1.494400    
 H   -1.992400       3.952400      -1.167600    
 H  -0.5693000       4.747000     -0.4591000    


%chk=000055985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055985

0 1
O -1.607184 3.240499 -0.057388
O 1.337642 1.964215 0.499348
O -3.577357 -2.630622 1.344347
O -1.794863 -3.144119 0.013367
N 5.025525 -0.518478 -0.317561
N 1.433798 0.372219 -1.193739
N -4.872940 -0.171360 0.404344
N -2.643405 -2.288494 0.506941
C 3.557459 -0.693404 -0.354121
C 2.904375 0.384055 -1.263593
C 5.460885 0.491093 0.683157
C 5.801367 -1.783153 -0.328099
C -0.737689 0.862813 -0.192985
C 6.880502 1.029786 0.425308
C 5.705366 -2.662246 0.949896
C 0.742306 1.132581 -0.261902
C -3.519493 0.117642 0.307369
C -1.756626 1.861711 0.011227
C -2.477061 -0.875939 0.165006
C -1.149443 -0.481986 -0.117249
C -3.089872 1.474914 0.252169
C -5.480064 -1.385488 -0.165772
C -5.817612 0.854497 0.876250
C -0.463414 3.881159 -0.733994
H 3.087957 -0.630459 0.655589
H 3.323386 -1.697751 -0.756222
H 3.226079 0.230473 -2.308211
H 3.241427 1.383958 -0.942243
H 4.746730 1.333939 0.634010
H 5.395050 0.096393 1.727508
H 5.459488 -2.373287 -1.200391
H 6.861679 -1.535871 -0.521897
H 0.908866 -0.244838 -1.815453
H 7.652769 0.250150 0.556284
H 6.958512 1.422277 -0.604083
H 7.110998 1.847014 1.133313
H 6.293615 -3.589739 0.819285
H 4.659387 -2.951482 1.161488
H 6.100200 -2.136226 1.837976
H -0.406756 -1.283862 -0.169097
H -3.819578 2.285591 0.301545
H -4.813772 -1.832492 -0.922104
H -5.679241 -2.151248 0.605131
H -6.425326 -1.105990 -0.667439
H -5.376947 1.439077 1.700691
H -6.127611 1.551744 0.069181
H -6.719604 0.352351 1.263768
H 0.415306 3.887307 -0.071501
H -0.217132 3.354885 -1.675411
H -0.813384 4.901288 -0.953543


