%chk=000104589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104589

0 1
 O   -3.192500      -1.223200       1.064900    
 N   -1.292800     -0.1163000      0.2452000    
 N   -4.838400      0.1579000     -0.3716000    
 C  -0.4301000      -1.341800      0.4159000    
 C  -0.6238000       1.249000      0.1860000    
 C   0.8815000      -1.210100     -0.3996000    
 C    1.610400      6.0300000E-02 -0.1197000    
 C   0.8986000       1.163200      0.1474000    
 C   -1.108400      -2.619900     -0.1497000    
 C  -0.1161000      -1.575400       1.908900    
 C  -0.9524000       2.053800       1.463400    
 C   -1.007500       2.049600      -1.073000    
 C   -2.678900     -0.2544000      0.4972000    
 C    3.087500      7.5099997E-02 -0.1910000    
 C   -3.598000      0.8184000     -2.7400000E-02
 C    3.818200      0.9823000      0.5804000    
 C    3.758800     -0.8179000      -1.029900    
 C    5.211300      0.9965000      0.5131000    
 C    5.152000     -0.8036000      -1.097200    
 C   -4.620400     -0.8719000      -1.394900    
 C   -5.837200       1.124900     -0.8429000    
 C    5.878200      0.1036000     -0.3256000    
 H   0.6645000      -1.250000      -1.476300    
 H    1.513700      -2.077400     -0.1671000    
 H    1.411500       2.111700      0.2996000    
 H   -1.904100      -3.006500      0.4926000    
 H   -1.528500      -2.435900      -1.145000    
 H  -0.3854000      -3.439900     -0.2416000    
 H   0.4040000     -0.7234000       2.357900    
 H   -1.031000      -1.732100       2.490200    
 H   0.5166000      -2.459700       2.045200    
 H  -0.4086000       3.006600       1.489800    
 H   -2.009500       2.307000       1.550200    
 H  -0.6812000       1.493600       2.366000    
 H  -0.2114000       2.741800      -1.378900    
 H   -1.197500       1.390600      -1.928000    
 H   -1.873900       2.698000     -0.9102000    
 H   -3.222500       1.280400     -0.9316000    
 H   -3.768300       1.562900      0.7526000    
 H    3.339800       1.676600       1.265800    
 H    3.225000      -1.525800      -1.658500    
 H    5.777600       1.698700       1.117900    
 H    5.671600      -1.496100      -1.753100    
 H   -4.022300      -1.723000      -1.060100    
 H   -4.153800     -0.4589000      -2.297600    
 H   -5.582300      -1.307000      -1.693500    
 H   -6.792200      0.6260000      -1.041800    
 H   -5.516600       1.638400      -1.756700    
 H   -6.032300       1.879500     -7.2700001E-02
 H    6.963000      0.1144000     -0.3776000    


%chk=000104589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104589

0 1
O -2.976544 -1.883913 0.137208
N -1.219283 -0.437383 -0.413846
N -4.537352 0.815279 0.192361
C -0.236422 -1.606149 -0.293885
C -0.704298 1.004363 -0.376361
C 1.160217 -1.174155 -0.833677
C 1.680308 0.089127 -0.179185
C 0.763853 1.067651 0.039599
C -0.684977 -2.796644 -1.188640
C -0.117891 -2.054777 1.187719
C -1.481943 1.840247 0.682422
C -0.753193 1.663465 -1.796301
C -2.582082 -0.750132 -0.299132
C 3.117693 0.222982 0.178293
C -3.671955 0.197647 -0.847957
C 3.547644 1.076372 1.235100
C 4.112028 -0.502552 -0.537044
C 4.915020 1.214228 1.548698
C 5.481831 -0.365147 -0.224279
C -5.356527 -0.152359 0.959930
C -5.371352 1.890040 -0.388156
C 5.892181 0.495411 0.819231
H 1.096253 -1.047300 -1.934225
H 1.843277 -2.022369 -0.649908
H 1.060515 2.035673 0.463723
H -1.574346 -3.298779 -0.785738
H -0.906257 -2.449193 -2.215079
H 0.143529 -3.527058 -1.244220
H 0.282694 -1.241756 1.817921
H -1.108948 -2.351185 1.564702
H 0.564583 -2.921864 1.266442
H -1.148608 2.893478 0.626964
H -2.578193 1.802411 0.570042
H -1.248630 1.459004 1.693632
H -0.246686 2.645244 -1.767784
H -0.225216 1.027094 -2.527338
H -1.780425 1.830424 -2.160842
H -4.268089 -0.448126 -1.541434
H -3.246428 1.013885 -1.447704
H 2.801082 1.611507 1.832828
H 3.815771 -1.163517 -1.359482
H 5.220095 1.870629 2.371688
H 6.228406 -0.928321 -0.795673
H -4.714580 -0.941918 1.375862
H -6.136488 -0.646755 0.328969
H -5.860712 0.381625 1.785551
H -5.962348 2.366021 0.414414
H -6.086330 1.524797 -1.168636
H -4.729350 2.665142 -0.846502
H 6.954372 0.598208 1.067128


