%chk=000117363.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117363

0 1
 O   -1.229900      -5.078200      0.1459000    
 O   -2.543400      -2.629500      4.5000002E-02
 O   -5.065900       2.979200      -1.476300    
 N    3.120600     -0.2785000     -7.9599999E-02
 N   0.9265000      -2.069500      0.3718000    
 C    2.257000     -0.1186000       1.106500    
 C    1.614100      -1.454600       1.511500    
 C    3.068600      0.4139000       2.289200    
 C    2.588200      -1.094900      -1.178700    
 C    1.908900      -2.368400     -0.6724000    
 C    3.647300       1.773400       1.943900    
 C    4.045700      0.7457000     -0.3556000    
 C    4.346700       1.739600      0.6094000    
 C   0.2343000      -3.289300      0.7877000    
 C  -0.5592000      -3.920100     -0.3590000    
 C    4.744800      0.8293000      -1.578000    
 C    5.270900       2.765200      0.3341000    
 C    5.671700       1.845000      -1.840300    
 C   -1.600200      -2.980000     -0.9629000    
 C    5.933700       2.814900     -0.8851000    
 C   -3.118800      -1.391000     -5.4800000E-02
 C   -3.517900     -0.7218000       1.097300    
 C   -3.297700     -0.8130000      -1.307000    
 C   -4.103100      0.5403000      0.9959000    
 C   -3.882700      0.4492000      -1.408300    
 C   -4.285300       1.125800     -0.2568000    
 C   -4.895100       2.442000     -0.3627000    
 C   -5.338800       3.187700      0.9084000    
 C   -5.940900       4.556300      0.6310000    
 H    1.457700      0.5950000      0.8597000    
 H    2.373900      -2.137400       1.917200    
 H   0.8936000      -1.259800       2.316400    
 H    2.441800      0.5007000       3.184500    
 H    3.883500     -0.2821000       2.531000    
 H    3.381900      -1.431200      -1.853000    
 H    1.876800     -0.4958000      -1.761300    
 H    1.450300      -2.825100      -1.554000    
 H    2.670500      -3.068500     -0.3023000    
 H    4.345800       2.074100       2.733800    
 H    2.846900       2.522100       1.899600    
 H   0.9392000      -4.029400       1.191700    
 H  -0.4555000      -3.066400       1.612700    
 H   9.6000001E-02  -4.288400      -1.153400    
 H    4.590700      0.1080000      -2.375000    
 H    5.475600       3.531100       1.078700    
 H    6.184900       1.872900      -2.797400    
 H   -2.142600      -3.504900      -1.758300    
 H   -1.089700      -2.108900      -1.390600    
 H    6.648300       3.606200      -1.088400    
 H  -0.5510000      -5.684800      0.4878000    
 H   -3.376400      -1.174600       2.074600    
 H   -3.028300      -1.318700      -2.229300    
 H   -4.400900       1.028600       1.918200    
 H   -4.020300      0.8814000      -2.396000    
 H   -6.087600       2.577800       1.425400    
 H   -4.465400       3.321200       1.556100    
 H   -6.827600       4.472500     -5.9000002E-03
 H   -6.235700       5.040500       1.567100    
 H   -5.221300       5.205000      0.1208000    


%chk=000117363-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117363

0 1
O -1.459749 -4.915908 -0.212092
O -2.132702 -2.072344 0.236486
O -5.793097 3.085932 -1.097341
N 3.499734 -0.470998 -0.154046
N 1.265515 -2.292523 0.093494
C 2.258441 -0.050779 0.551902
C 1.543501 -1.285677 1.140993
C 2.574531 0.963132 1.664323
C 3.254646 -1.524454 -1.161848
C 2.525961 -2.729834 -0.543971
C 3.300553 2.187010 1.079069
C 4.566753 0.453100 -0.327762
C 4.521273 1.753383 0.279566
C 0.376829 -3.393623 0.517076
C -0.611796 -3.782040 -0.609401
C 5.731148 0.108242 -1.079113
C 5.616387 2.631329 0.130606
C 6.804810 1.009361 -1.224748
C -1.541547 -2.634281 -0.992768
C 6.760800 2.285082 -0.620292
C -2.963730 -0.961272 0.111294
C -3.497843 -0.457740 1.326988
C -3.284129 -0.329338 -1.121286
C -4.332867 0.670059 1.311373
C -4.121424 0.799936 -1.118395
C -4.658127 1.324506 0.087743
C -5.535334 2.537055 0.017133
C -6.113795 3.103684 1.321300
C -6.975630 4.359118 1.106366
H 1.558797 0.420110 -0.180455
H 2.181112 -1.702415 1.961629
H 0.582075 -0.959277 1.576928
H 1.628093 1.265253 2.150780
H 3.210066 0.478639 2.430655
H 4.206997 -1.878098 -1.583408
H 2.638197 -1.124451 -1.999938
H 2.299966 -3.459336 -1.344166
H 3.205218 -3.226343 0.194821
H 3.605012 2.880830 1.884581
H 2.598612 2.750015 0.429262
H 0.952414 -4.303694 0.821920
H -0.219576 -3.075184 1.388857
H -0.036730 -4.044211 -1.526941
H 5.821565 -0.875598 -1.547999
H 5.560686 3.615981 0.613069
H 7.680834 0.704914 -1.809310
H -2.344251 -3.010889 -1.654995
H -0.945327 -1.854021 -1.502596
H 7.593797 2.987236 -0.727673
H -0.887995 -5.635381 0.158876
H -3.246219 -0.970689 2.260221
H -2.890675 -0.708162 -2.068567
H -4.733446 1.040940 2.260412
H -4.380528 1.306912 -2.054199
H -6.706341 2.307069 1.816798
H -5.273791 3.324231 2.011746
H -7.825548 4.143437 0.436787
H -7.369018 4.730418 2.069777
H -6.387908 5.162846 0.630980


