%chk=000118522.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118522

0 1
 O  -0.7140000       2.370000       2.349200    
 O   -2.029800      0.1723000       2.690100    
 N  -0.2804000     -0.2885000     -0.9878000    
 N    2.782100      -1.292500      0.4796000    
 N  -0.8828000       1.518700       1.229800    
 C   0.9469000      -2.413200     -0.7523000    
 C   0.6427000      -1.216100      -1.652200    
 C    1.543900      -2.050800      0.6110000    
 C   4.9699999E-02   1.083700      -1.017100    
 C   -1.564600     -0.7802000     -0.6894000    
 C    3.786200      -2.067600     -0.2515000    
 C    3.295600     -0.9110000       1.796500    
 C  -0.2670000       1.959100      3.9400000E-02
 C   -2.266100     -0.3940000      0.4591000    
 C   0.7362000       1.620000      -2.134900    
 C   -2.211300      -1.674300      -1.574500    
 C   -1.686200      0.4403000       1.535100    
 C    5.059700      -1.264100     -0.4537000    
 C    2.268800     -0.1048000       2.573600    
 C   0.1310000       3.312700     -4.5899998E-02
 C   -3.567200     -0.8834000      0.6971000    
 C    1.105200       2.962400      -2.209000    
 C   -3.499900      -2.155000      -1.334900    
 C   0.8029000       3.811100      -1.159800    
 C   -4.181500      -1.754600     -0.1976000    
 H    1.581100      -3.123700      -1.293900    
 H   2.8500000E-02  -2.982700     -0.5619000    
 H   0.2728000      -1.540000      -2.631300    
 H    1.609400     -0.7432000      -1.863600    
 H    1.708900      -2.975400       1.180500    
 H   0.7755000      -1.488800       1.148000    
 H    4.020600      -3.013700      0.2524000    
 H    3.443100      -2.310200      -1.261000    
 H    3.599100      -1.785000       2.386500    
 H    4.169200     -0.2588000       1.696000    
 H   0.9685000      0.9977000      -2.997300    
 H   -1.739900      -1.996500      -2.499000    
 H    4.849200     -0.2595000     -0.8369000    
 H    5.651900      -1.179400      0.4626000    
 H    5.697400      -1.766400      -1.190100    
 H    1.855000      0.7087000       1.970500    
 H    1.452300     -0.7185000       2.965500    
 H    2.751400      0.3547000       3.444000    
 H  -8.8500001E-02   4.015800      0.7549000    
 H   -4.120800     -0.5914000       1.587200    
 H    1.622400       3.337900      -3.086600    
 H   -3.967900      -2.832600      -2.042600    
 H    1.086500       4.858200      -1.202400    
 H   -5.184600      -2.120700     -2.3000001E-03
 H   -1.591000       2.789600       2.387300    


%chk=000118522-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118522

0 1
O -0.838888 2.217213 2.591237
O -2.626786 0.435035 2.676765
N -0.299080 -0.214953 -0.816991
N 3.028392 -1.568672 0.519454
N -1.058631 1.453551 1.379578
C 0.976050 -2.386017 -0.700170
C 0.738727 -1.065316 -1.462962
C 1.668861 -2.156062 0.662673
C -0.102667 1.210744 -0.870853
C -1.634678 -0.717144 -0.707478
C 4.047927 -2.590674 0.149593
C 3.440550 -0.770523 1.710496
C -0.478051 2.040951 0.221167
C -2.498098 -0.322649 0.364217
C 0.508440 1.818287 -1.996024
C -2.126586 -1.664048 -1.649295
C -2.078436 0.517394 1.511041
C 5.262985 -1.992942 -0.585969
C 2.730608 0.592310 1.809503
C -0.216442 3.431457 0.198437
C -3.814019 -0.851938 0.443739
C 0.775763 3.203808 -2.022234
C -3.434039 -2.178985 -1.555872
C 0.412953 4.012122 -0.921243
C -4.293738 -1.766201 -0.510657
H 1.601517 -3.038171 -1.341396
H 0.023651 -2.925017 -0.536409
H 0.506655 -1.269285 -2.531051
H 1.687062 -0.501267 -1.426063
H 1.694784 -3.119970 1.229483
H 1.046820 -1.457446 1.249548
H 4.392409 -3.161201 1.049775
H 3.564200 -3.329028 -0.516529
H 3.282980 -1.350266 2.655812
H 4.528738 -0.593215 1.631144
H 0.786825 1.194948 -2.851191
H -1.482186 -1.992362 -2.469595
H 4.933511 -1.469344 -1.500549
H 5.808776 -1.265799 0.041637
H 5.975188 -2.790514 -0.869628
H 2.906263 1.182395 0.892806
H 1.639552 0.492877 1.943749
H 3.116526 1.162557 2.674877
H -0.484436 4.028826 1.072657
H -4.429792 -0.548049 1.295999
H 1.264286 3.646235 -2.896839
H -3.782098 -2.900569 -2.303663
H 0.621857 5.086791 -0.929017
H -5.310773 -2.163026 -0.434662
H -1.533232 1.769454 3.197350


