%chk=000155023.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155023

0 1
 O   -2.079300       1.043500      -1.032300    
 O   -2.482500       2.754000      0.9580000    
 O    1.922100      -2.571000       1.313600    
 O   -4.042300      -1.074700     -0.7667000    
 N    3.244300     -0.2062000     -0.6843000    
 C   0.3195000      0.8387000     -0.6523000    
 C    1.306100      0.9028000      0.5107000    
 C  -0.8840000       1.803300     -0.6388000    
 C    2.121600     -0.4009000      0.2464000    
 C    1.184300      0.8514000      -1.980900    
 C  -0.4758000     -0.4498000     -0.3987000    
 C    2.776800      0.7822000      -1.736300    
 C   -1.098700       2.500000      0.7349000    
 C   0.6241000       1.073800       1.842000    
 C  -3.6200002E-02  -1.626400      0.2500000    
 C   -1.804900     -0.2489000     -0.6765000    
 C    1.413800      -1.646700      0.7037000    
 C  -0.4991000       1.804400       1.933000    
 C    4.445200      0.2484000      9.9999997E-05
 C  -0.9432000      -2.653200      0.4717000    
 C   -2.728000      -1.256900     -0.4796000    
 C   -2.284200      -2.468000      8.2699999E-02
 H    1.954000       1.787100      0.4301000    
 H  -0.7741000       2.588500      -1.396500    
 H    2.692100     -0.3631000       1.197200    
 H   0.9893000       1.765700      -2.553000    
 H   0.9006000      1.4000000E-03  -2.613700    
 H    3.264700      0.5317000      -2.685100    
 H    3.104200       1.796100      -1.469900    
 H  -0.6105000       3.482500      0.6831000    
 H    1.070300      0.6483000       2.734700    
 H  -0.9493000       1.961000       2.908800    
 H    5.249400      0.4097000     -0.7268000    
 H    4.813000     -0.5134000      0.6972000    
 H    4.299600       1.185700      0.5492000    
 H  -0.6427000      -3.579700      0.9503000    
 H   -2.992700      -3.274100      0.2629000    
 H   -2.565500       3.259700       1.784600    
 H   -4.527700      -1.888400     -0.5472000    


%chk=000155023-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155023

0 1
O -2.192755 0.988933 -0.813732
O -2.508953 3.310361 0.740163
O 2.201736 -2.372831 1.377885
O -3.905199 -1.377862 -0.809453
N 2.949989 -0.060297 -0.542631
C 0.268064 0.977307 -0.499414
C 1.185695 1.168190 0.759916
C -1.005635 1.895276 -0.563275
C 2.211528 -0.001962 0.748401
C 1.141361 1.070931 -1.803590
C -0.374824 -0.391319 -0.318597
C 2.659857 0.999069 -1.518191
C -1.168526 2.728584 0.735748
C 0.335116 1.224314 2.017817
C 0.233907 -1.550103 0.205714
C -1.745076 -0.318763 -0.571643
C 1.573869 -1.416845 0.826977
C -0.816185 1.944300 1.991817
C 4.333058 -0.538191 -0.448927
C -0.560921 -2.725325 0.297377
C -2.546045 -1.482831 -0.502564
C -1.917773 -2.692692 -0.086855
H 1.753126 2.118924 0.661865
H -1.007831 2.582404 -1.424684
H 2.909408 0.106853 1.607079
H 0.929810 2.022078 -2.329022
H 0.857779 0.249029 -2.484178
H 3.191753 0.756328 -2.457011
H 3.041723 2.000402 -1.191694
H -0.409857 3.545026 0.627070
H 0.642318 0.655694 2.903984
H -1.503012 1.990479 2.845770
H 4.718162 -0.771096 -1.458048
H 4.360353 -1.465645 0.149731
H 5.022747 0.201993 0.026588
H -0.113835 -3.638433 0.701716
H -2.523823 -3.606023 -0.017955
H -2.587678 3.922310 1.515665
H -4.359132 -2.250068 -0.693520


