%chk=000047743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047743

0 1
 O   0.5872000       1.235100       1.089900    
 O  -0.9154000      -2.424300      0.7527000    
 N  -0.8394000     -0.2266000     -6.2899999E-02
 C    1.481400     -0.9183000      0.5348000    
 C    2.898000     -0.3393000      0.4897000    
 C   -1.700400      0.8047000     -0.6483000    
 C   0.3875000      0.1501000      0.5402000    
 C    3.136500      0.5184000     -0.7556000    
 C   -2.678000       1.335000      0.3974000    
 C   -1.229400      -1.587900     -9.9200003E-02
 C    4.548500       1.082700     -0.7783000    
 C   -3.598600       2.392900     -0.1913000    
 C   -2.077900      -2.022300      -1.269100    
 H    1.371700      -1.517100       1.445700    
 H    1.354800      -1.579100     -0.3299000    
 H    3.619200      -1.165100      0.5129000    
 H    3.075700      0.2653000       1.387600    
 H   -1.060200       1.624100     -0.9971000    
 H   -2.245300      0.4249000      -1.515300    
 H    2.429200       1.353200     -0.7978000    
 H    2.976200     -8.6099997E-02  -1.656000    
 H   -3.284100      0.5117000      0.7942000    
 H   -2.132800       1.762500       1.246900    
 H    4.701200       1.686000      -1.678700    
 H    4.730000       1.720300      9.2799999E-02
 H    5.292200      0.2794000     -0.7779000    
 H   -3.025000       3.245600     -0.5683000    
 H   -4.189600       1.983300      -1.016700    
 H   -4.291100       2.759900      0.5727000    
 H   -2.075900      -3.114800      -1.333100    
 H   -1.670100      -1.630500      -2.204700    
 H   -3.107500      -1.683300      -1.129100    


%chk=000047743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047743

0 1
O 0.583608 1.412108 0.074406
O -0.482740 -2.625653 -0.114986
N -0.865073 -0.322450 -0.460403
C 1.546265 -0.823519 0.286645
C 2.897206 -0.125747 0.547375
C -1.853962 0.748907 -0.796215
C 0.426673 0.162681 -0.024572
C 3.555372 0.456486 -0.725478
C -2.665000 1.224947 0.429750
C -1.244416 -1.694140 -0.499363
C 4.926872 1.102957 -0.435679
C -3.662146 2.339283 0.047568
C -2.634297 -2.014805 -1.047664
H 1.234224 -1.431171 1.157648
H 1.628059 -1.562319 -0.532218
H 3.583944 -0.867615 1.002909
H 2.758731 0.687156 1.285324
H -1.281137 1.601643 -1.196330
H -2.524404 0.383501 -1.591131
H 2.877863 1.210420 -1.168188
H 3.677857 -0.351849 -1.475964
H -3.208613 0.370704 0.880159
H -1.957652 1.597389 1.192727
H 5.384197 1.511459 -1.355679
H 4.824395 1.933430 0.287992
H 5.632418 0.366815 -0.005228
H -3.134229 3.216947 -0.369258
H -4.389758 1.990408 -0.709990
H -4.232635 2.678988 0.930096
H -2.792211 -3.095422 -0.918225
H -2.705242 -1.774405 -2.124583
H -3.435569 -1.466736 -0.523245


