%chk=000138576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138576

0 1
 O   -1.967000     -0.4770000     -1.9999999E-04
 O   -1.416900       1.748600      9.9999997E-05
 N    1.400900      0.9627000     -9.9999997E-05
 N    2.578400      0.3149000      3.0000001E-04
 C   0.3167000      0.1350000     -3.9999999E-04
 C    2.217200     -0.9711000     -9.9999997E-05
 C   0.8199000      -1.143000     -6.9999998E-04
 C   -1.048000      0.5572000     -1.9999999E-04
 C    1.389600       2.407100      1.9999999E-04
 C    3.249900      -2.020700      5.0000002E-04
 C   -3.355000     -0.1240000      3.0000001E-04
 C   -4.185600      -1.389600      3.0000001E-04
 H   0.2623000      -2.069000     -1.0000000E-03
 H    2.418400       2.778100      9.9999997E-05
 H   0.8793000       2.752800     -0.9020000    
 H   0.8795000       2.752400      0.9027000    
 H    3.884800      -1.938700      0.8888000    
 H    2.802600      -3.020200     -3.9999999E-04
 H    3.886500      -1.937900     -0.8866000    
 H   -3.578700      0.4675000      0.8946000    
 H   -3.579300      0.4679000     -0.8938000    
 H   -5.254000      -1.156300      6.9999998E-04
 H   -3.957100      -2.000400     -0.8793000    
 H   -3.956600      -2.000700      0.8796000    


%chk=000138576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138576

0 1
O -1.980198 -0.474805 0.000129
O -1.470232 1.808324 0.000157
N 1.390647 1.003572 0.000149
N 2.589509 0.314310 0.000091
C 0.298353 0.137164 0.000156
C 2.241117 -1.023232 0.000119
C 0.828791 -1.172665 0.000163
C -1.091267 0.605099 0.000180
C 1.414398 2.471882 0.000197
C 3.308294 -2.082959 0.000129
C -3.430346 -0.116651 0.000100
C -4.205663 -1.429985 0.000109
H 0.249483 -2.092002 0.000175
H 2.472261 2.771509 -0.000208
H 0.901090 2.869329 -0.890037
H 0.901821 2.869279 0.890881
H 3.956886 -1.996613 0.890244
H 2.855779 -3.088223 -0.000499
H 3.957663 -1.995819 -0.889334
H -3.638092 0.498914 0.894313
H -3.638061 0.498881 -0.894144
H -5.291340 -1.222408 0.000078
H -3.966526 -2.028669 -0.895201
H -3.966566 -2.028632 0.895453


