%chk=000095038.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095038

0 1
 O   -5.192300       1.054900      -1.355800    
 O    5.171300       1.028300       1.398400    
 O   -4.217100      -2.952200      0.8888000    
 O    4.207900      -2.946800     -0.9074000    
 N   -2.613000       2.055400     -0.2364000    
 N    2.615200       2.056800      0.2516000    
 N   -2.700100      -1.196100       1.063300    
 N    2.703800      -1.180000      -1.084500    
 N   -1.289500      0.8205000       1.065000    
 N    1.304800      0.8449000      -1.084100    
 N   -4.728000     -0.9649000     -0.2406000    
 N    4.712800     -0.9755000      0.2527000    
 C  -0.5285000       3.142600      0.5544000    
 C   0.5493000       3.165200     -0.5580000    
 C   -1.448400       1.991900      0.4841000    
 C    1.483400       1.980500     -0.4855000    
 C   -3.230800      0.8452000     -0.1020000    
 C    3.228100      0.8447000      0.1125000    
 C   -2.400500      0.1092000      0.6987000    
 C    2.406000      0.1229000     -0.7092000    
 C   -4.465000      0.3724000     -0.6401000    
 C    4.451200      0.3584000      0.6637000    
 C   -3.898100      -1.793700      0.5977000    
 C    3.891000      -1.789900     -0.6076000    
 C   -1.783800      -1.939700       1.919100    
 C    1.796500      -1.908200      -1.962700    
 C   -5.966600      -1.561700     -0.7292000    
 C    5.940300      -1.585300      0.7531000    
 H  -3.4800000E-02   3.141300       1.534500    
 H   -1.100100       4.077800      0.5008000    
 H   6.6000000E-02   3.170300      -1.543100    
 H    1.126400       4.094700     -0.4803000    
 H   -2.949900       2.847900     -0.7674000    
 H    2.945100       2.843700      0.7960000    
 H   -2.150400      -2.950000       2.117700    
 H   -1.676200      -1.409500       2.870200    
 H  -0.8107000      -2.008300       1.422800    
 H   0.8156000      -1.977100      -1.481900    
 H    2.160500      -2.918000      -2.167800    
 H    1.706200      -1.366100      -2.909100    
 H   -6.546200     -0.8807000      -1.356400    
 H   -6.571900      -1.863800      0.1314000    
 H   -5.718500      -2.459500      -1.304100    
 H    6.514300     -0.9149000       1.396700    
 H    6.556700      -1.881300     -0.1016000    
 H    5.678200      -2.488100       1.314000    


%chk=000095038-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095038

0 1
O -5.954637 1.442011 1.020461
O 2.011151 -1.995027 1.054132
O -4.197657 -2.778261 2.214064
O 6.343274 -1.055412 -0.575343
N -3.126525 2.022570 -0.115767
N 1.091106 0.357435 -0.744580
N -2.749139 -1.282784 1.129458
N 4.587242 0.290225 -1.360619
N -1.465819 0.501165 -0.018680
N 2.552260 1.557872 -2.021347
N -5.049037 -0.676851 1.617726
N 4.182014 -1.501676 0.217557
C -0.876434 2.770669 -1.056673
C 0.092923 2.219307 -2.149094
C -1.803092 1.762715 -0.424792
C 1.245333 1.396226 -1.637287
C -3.657248 0.892785 0.518072
C 2.349465 -0.191516 -0.524409
C -2.607030 -0.032065 0.562644
C 3.226615 0.562260 -1.324977
C -4.973404 0.638303 1.042890
C 2.762015 -1.283660 0.312352
C -4.004924 -1.650593 1.685129
C 5.111750 -0.766653 -0.578005
C -1.626862 -2.249570 1.148116
C 5.491352 1.090238 -2.207884
C -6.341055 -1.096538 2.210478
C 4.767895 -2.598694 1.021319
H -0.273901 3.256394 -0.263322
H -1.493504 3.567377 -1.513277
H -0.489615 1.640284 -2.892602
H 0.534854 3.075639 -2.686266
H -3.649450 2.879536 -0.298984
H 0.149164 0.123670 -0.318209
H -1.924684 -3.091569 1.788795
H -0.710498 -1.779972 1.541564
H -1.422511 -2.621439 0.129118
H 5.178391 1.022211 -3.263318
H 6.506894 0.687000 -2.084553
H 5.461540 2.148989 -1.899680
H -7.045322 -0.260785 2.088425
H -6.205845 -1.336651 3.277477
H -6.716536 -1.997199 1.698334
H 3.943292 -3.077454 1.569574
H 5.517215 -2.196929 1.722926
H 5.269185 -3.325385 0.361458


