%chk=000112958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112958

1 1
 O  -0.5117000     -0.7908000     -0.4729000    
 O  -0.9052000      0.2468000       1.576500    
 N    3.997500      0.9879000     -0.4255000    
 N   -3.004300       1.989400       1.349700    
 C    2.997200     -0.1168000     -7.6200001E-02
 C    5.079100      0.4026000      -1.329100    
 C    4.603300       1.528200      0.8668000    
 C    3.338500       2.151000      -1.163900    
 C    1.709800      8.2099997E-02 -0.4477000    
 C    3.483700      -1.200700      0.5747000    
 C   0.7984000     -0.9248000     -0.1295000    
 C    2.572400      -2.207400      0.8929000    
 C    1.229800      -2.069700      0.5407000    
 C   -1.300900     -0.1692000      0.4979000    
 C   -2.713500     -5.9099998E-02  5.2800000E-02
 C   -3.500600      0.9910000      0.4821000    
 C   -3.196700      -1.037100     -0.7954000    
 C   -4.823700       1.066900      4.6500001E-02
 C   -4.519900     -0.9611000      -1.230700    
 C   -5.333300      9.0800002E-02 -0.8097000    
 H    4.599800     -4.4300001E-02  -2.206000    
 H    5.741000       1.218100      -1.638100    
 H    5.664000     -0.3401000     -0.7797000    
 H    5.197400      0.7504000       1.354400    
 H    5.257600       2.367700      0.6101000    
 H    3.792500       1.869400       1.518400    
 H    2.587700       2.619300     -0.5188000    
 H    4.116700       2.892600      -1.378500    
 H    2.929100       1.798200      -2.116300    
 H    1.314900      0.9437000     -0.9677000    
 H    4.520400      -1.330900      0.8599000    
 H    2.907800      -3.098900       1.414900    
 H   0.5252000      -2.858100      0.7910000    
 H   -2.591900      -1.875700      -1.127100    
 H   -5.468800       1.881000      0.3670000    
 H   -4.918200      -1.722900      -1.894600    
 H   -6.363700      0.1493000      -1.148000    
 H   -2.045500       1.969200       1.668300    
 H   -3.609300       2.746100       1.640900    


%chk=000112958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112958

1 1
O -0.587256 -0.865829 -0.049939
O -0.729961 1.487649 -0.181956
N 4.106185 0.991067 -0.084687
N -3.207849 2.561593 -0.273825
C 3.094556 -0.162780 -0.032980
C 5.011617 0.822784 -1.313401
C 4.956627 0.980715 1.193521
C 3.436420 2.362196 -0.186274
C 1.717331 0.119463 -0.074173
C 3.595702 -1.478785 0.058436
C 0.808726 -0.972015 -0.020091
C 2.669219 -2.545062 0.109410
C 1.284322 -2.301970 0.071336
C -1.328724 0.368743 -0.128700
C -2.760473 0.133926 -0.135898
C -3.665492 1.265581 -0.209683
C -3.301345 -1.192093 -0.070901
C -5.074153 1.006972 -0.214645
C -4.679248 -1.415372 -0.077040
C -5.566001 -0.299835 -0.149739
H 4.380024 0.819037 -2.213738
H 5.725426 1.660633 -1.345888
H 5.554147 -0.129239 -1.241739
H 5.491638 0.024842 1.269274
H 5.676540 1.812848 1.148407
H 4.287010 1.096633 2.058259
H 2.797178 2.527598 0.692370
H 4.230006 3.124274 -0.216169
H 2.837935 2.413565 -1.106771
H 1.297661 1.121515 -0.144274
H 4.666257 -1.702908 0.091822
H 3.037119 -3.572603 0.180172
H 0.561587 -3.121070 0.111358
H -2.605702 -2.032422 -0.016031
H -5.766969 1.854419 -0.270177
H -5.077441 -2.432497 -0.026682
H -6.648640 -0.466469 -0.155069
H -2.199157 2.734835 -0.269268
H -3.868221 3.334160 -0.324528


