%chk=000084938.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084938

0 1
 O   0.2175000       1.787200      0.8497000    
 O  -0.2262000       1.998800      -1.399400    
 N   -5.351700      -1.186000     -0.7068000    
 N    4.961600      -1.638500     -0.7512000    
 N    1.799600       2.635000     -0.5172000    
 C   -1.350000      6.4900003E-02  0.2623000    
 C    1.085500     -0.4550000      0.6952000    
 C  -0.1067000      0.4210000       1.075400    
 C   -2.521800      0.9832000      0.6340000    
 C   -1.725100      -1.409300      0.4639000    
 C    2.328400     -5.8400001E-02   1.502900    
 C    1.362000     -0.3691000     -0.8117000    
 C   -3.792900      0.6138000     -0.1302000    
 C   -2.996600      -1.778100     -0.2998000    
 C    3.549000     -0.8876000       1.104100    
 C    2.583000      -1.197600      -1.210000    
 C   -4.162600     -0.8582000      7.9099998E-02
 C    3.820500     -0.7934000     -0.4009000    
 C   0.5264000       2.127300     -0.4395000    
 H   -1.213700      0.1748000     -0.8139000    
 H   0.8768000      -1.499900      0.9534000    
 H  -0.3136000      0.3124000       2.147200    
 H   -2.720000      0.9153000       1.711500    
 H   -2.285700       2.032100      0.4234000    
 H  -0.9381000      -2.080700      0.1079000    
 H   -1.870100      -1.618300       1.531500    
 H    2.132300     -0.2135000       2.571300    
 H    2.577500      0.9987000       1.392700    
 H    1.649500      0.5646000      -1.254100    
 H   0.5250000     -0.7651000      -1.394800    
 H   -4.614300       1.259700      0.2040000    
 H   -3.641400      0.8205000      -1.198100    
 H   -2.798900      -1.715600      -1.378300    
 H   -3.255300      -2.822500     -8.5400000E-02
 H    4.421200     -0.5381000       1.670500    
 H    3.381300      -1.933200       1.395100    
 H    2.359100      -2.260900      -1.048900    
 H    2.777500      -1.079900      -2.283900    
 H   -4.406200      -1.012200       1.137600    
 H    4.081400      0.2424000     -0.6506000    
 H   -5.575500      -2.173900     -0.5919000    
 H   -5.156500      -1.056000      -1.699000    
 H    4.753100      -2.611100     -0.5273000    
 H    5.765700      -1.383900     -0.1788000    
 H    2.374100       2.769600      0.3068000    
 H    2.192300       2.935000      -1.403300    


%chk=000084938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084938

0 1
O 0.379507 1.837249 0.810989
O 0.213420 2.104881 -1.548657
N -5.493714 -1.071951 -0.552952
N 5.146992 -2.196168 -0.621559
N 0.715564 3.872680 -0.101479
C -1.289752 0.045830 0.110189
C 1.260919 -0.521356 0.533480
C 0.028884 0.367652 0.858382
C -2.435147 0.989147 0.566125
C -1.702443 -1.431323 0.357811
C 2.512156 -0.061963 1.326869
C 1.607505 -0.696760 -0.967400
C -3.776453 0.652873 -0.122745
C -3.047239 -1.764498 -0.332526
C 3.690304 -1.044735 1.130947
C 2.788429 -1.677741 -1.157311
C -4.194913 -0.814270 0.111814
C 4.043828 -1.238068 -0.372086
C 0.416660 2.553492 -0.390781
H -1.130772 0.192586 -0.974198
H 0.989852 -1.527713 0.926098
H -0.162859 0.266880 1.947304
H -2.557081 0.904409 1.667699
H -2.168953 2.041333 0.357990
H -0.922065 -2.121832 -0.013661
H -1.795422 -1.607932 1.451660
H 2.265780 0.031905 2.403810
H 2.809396 0.948621 0.983897
H 1.858963 0.283817 -1.410170
H 0.727527 -1.065493 -1.527355
H -4.580910 1.318604 0.240476
H -3.679631 0.827008 -1.216407
H -2.927512 -1.675693 -1.433382
H -3.331535 -2.815728 -0.122415
H 4.584887 -0.685619 1.679339
H 3.426524 -2.036471 1.558434
H 2.489872 -2.692387 -0.810086
H 3.050432 -1.768232 -2.227369
H -4.353899 -0.954448 1.202052
H 4.369850 -0.256280 -0.775128
H -5.859691 -2.016985 -0.385025
H -5.470444 -0.861619 -1.558952
H 4.899568 -3.159558 -0.361316
H 6.035582 -1.917885 -0.187517
H 0.862009 4.170548 0.859672
H 0.783426 4.533495 -0.870058


