%chk=000112993.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112993

0 1
 O  -1.8900000E-02   1.203200       1.549700    
 O    1.780600      -2.544000     -0.5364000    
 O   -2.803100      -1.774300     -0.6891000    
 O   -1.898200       1.499600      -1.369500    
 O   -3.652700       2.476200     -0.3132000    
 N   0.9090000     -0.6824000      0.5648000    
 N   -1.445800     -0.2887000      0.4894000    
 C    2.240600     -0.1896000      0.9056000    
 C    2.817900      0.6438000     -0.2353000    
 C  -0.5665000      -2.426400     -0.3014000    
 C  -0.1752000      0.1481000      0.9242000    
 C   0.8187000      -1.892800     -0.1245000    
 C    4.234600       1.144400      5.7700001E-02
 C   -1.710500      -1.468600     -0.2077000    
 C   -2.563700      0.6129000      0.7529000    
 C    4.806400       1.914700      -1.122500    
 C   -2.773300       1.624000     -0.3448000    
 H    2.201700      0.4055000       1.824900    
 H    2.896500      -1.045500       1.105100    
 H    2.162900       1.501600     -0.4338000    
 H    2.830000      4.7100000E-02  -1.156300    
 H  -0.7216000      -3.202700      0.4565000    
 H  -0.6127000      -2.896500      -1.291000    
 H    4.889400      0.2946000      0.2824000    
 H    4.223500       1.790300      0.9431000    
 H   -2.394600       1.156400       1.688000    
 H   -3.485000      2.8300000E-02  0.8466000    
 H    4.188900       2.787500      -1.357200    
 H    5.817200       2.265500     -0.8918000    
 H    4.861700       1.282500      -2.014400    
 H   -2.055500       2.167700      -2.070200    


%chk=000112993-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112993

0 1
O -0.073568 1.312548 1.323043
O 1.834099 -2.639162 -0.270504
O -2.960391 -1.949757 -0.325830
O -1.974886 1.482850 -1.401041
O -3.524422 2.680843 -0.144934
N 0.889973 -0.677883 0.559030
N -1.507747 -0.335688 0.517324
C 2.246996 -0.140406 0.880661
C 2.867888 0.631198 -0.302269
C -0.585748 -2.472107 -0.370163
C -0.212796 0.166158 0.824229
C 0.803702 -1.955226 -0.034634
C 4.266903 1.181408 0.057142
C -1.782051 -1.589554 -0.070521
C -2.632310 0.583157 0.760961
C 4.919135 1.941597 -1.117215
C -2.768970 1.698582 -0.272690
H 2.137363 0.521043 1.755521
H 2.875936 -1.006830 1.145186
H 2.201585 1.469370 -0.583842
H 2.948838 -0.042446 -1.176994
H -0.728596 -3.438104 0.148888
H -0.608149 -2.721466 -1.447262
H 4.923898 0.342784 0.365067
H 4.182505 1.855291 0.933634
H -2.529219 1.059725 1.747883
H -3.558099 -0.018117 0.739887
H 4.295246 2.799703 -1.430153
H 5.915081 2.331725 -0.839440
H 5.047711 1.280709 -1.994740
H -2.107608 2.230457 -2.044422


