%chk=000011117.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011117

0 1
 O   0.1393000     -0.2745000     -0.1170000    
 O    1.080100      -2.343200     -0.4842000    
 N   -3.539200     -0.2347000     -0.2015000    
 N    6.129100       1.511800      0.3446000    
 C   -5.968500      0.3174000     -0.1383000    
 C   -4.521800      0.8353000     -6.4499997E-02
 C   -6.197900     -0.7319000      0.9528000    
 C   -7.001600       1.438600      7.9999998E-04
 C   -2.186200      0.2832000     -5.9700001E-02
 C   -1.164200     -0.8269000     -0.2463000    
 C    2.476300     -0.4487000     -0.1009000    
 C    1.175300      -1.146600     -0.2589000    
 C    3.551600      -1.149200      0.4058000    
 C    2.569400      0.8790000     -0.4652000    
 C    4.893500      0.8488000      0.1939000    
 C    4.773500     -0.4933000      0.5549000    
 C    3.791400       1.534900     -0.3162000    
 H   -6.123500     -0.1622000      -1.113700    
 H   -4.373100       1.578800     -0.8577000    
 H   -4.378700       1.350200      0.8944000    
 H   -3.647800     -0.6854000      -1.109400    
 H   -5.999000     -0.3216000       1.949000    
 H   -7.235800      -1.082800      0.9371000    
 H   -5.561100      -1.611100      0.8116000    
 H   -6.910600       1.943800      0.9683000    
 H   -8.019800       1.044700     -8.3800003E-02
 H   -6.864500       2.187400     -0.7863000    
 H   -2.045300      0.7335000      0.9308000    
 H   -1.990600       1.074800     -0.7942000    
 H   -1.268800      -1.276100      -1.241700    
 H   -1.307100      -1.604900      0.5136000    
 H    3.469600      -2.193100      0.6935000    
 H    1.730300       1.431700     -0.8771000    
 H    5.624800      -1.038700      0.9543000    
 H    3.873100       2.580100     -0.6039000    
 H    6.928700       1.014600      0.7137000    
 H    6.216900       2.484600      8.2300000E-02


%chk=000011117-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011117

0 1
O 0.130073 -0.171593 0.020790
O 1.020826 -2.324283 -0.122031
N -3.587959 -0.148672 -0.248408
N 6.354227 1.401132 0.188975
C -6.067276 0.205826 -0.160467
C -4.664938 0.863392 -0.179052
C -6.273414 -0.639226 1.117076
C -7.166528 1.282780 -0.309139
C -2.213878 0.387509 -0.167415
C -1.226926 -0.774066 -0.017369
C 2.515077 -0.402298 0.026691
C 1.202645 -1.081081 -0.032291
C 3.692895 -1.197094 -0.026747
C 2.646792 1.009194 0.135628
C 5.096542 0.810095 0.135695
C 4.963580 -0.608245 0.025836
C 3.913619 1.609347 0.189690
H -6.130402 -0.473166 -1.039932
H -4.619645 1.598109 -1.023421
H -4.526912 1.443853 0.756047
H -3.708255 -0.759830 -1.069406
H -6.320966 0.015852 2.008968
H -7.216708 -1.214551 1.069179
H -5.432903 -1.341163 1.254778
H -7.120155 2.005308 0.528774
H -8.172442 0.824471 -0.300559
H -7.056944 1.849259 -1.253242
H -2.147370 1.037946 0.724770
H -1.916296 1.009604 -1.046403
H -1.282234 -1.483539 -0.865161
H -1.408312 -1.336448 0.915025
H 3.582506 -2.283621 -0.109595
H 1.743150 1.623865 0.177354
H 5.862578 -1.234990 -0.016694
H 4.001319 2.699454 0.273928
H 7.197834 0.835972 0.151973
H 6.454599 2.409198 0.267056


