%chk=000088056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088056

0 1
 O    4.061200      -2.687200      0.5643000    
 O   -4.019100       2.704000      0.5914000    
 N    2.624000      -1.010700      0.5736000    
 N   -2.656200      0.9900000      0.5845000    
 N    2.869500      -2.362300      0.5661000    
 N   -2.833500       2.357200      0.5895000    
 C    3.976700      0.5120000     -0.8353000    
 C   -3.987300     -0.4874000     -0.8368000    
 C    3.707900      8.9999998E-04  0.5776000    
 C   -3.715300      9.8000001E-03  0.5804000    
 C    5.121900       1.526500     -0.8879000    
 C   -5.136800      -1.496400     -0.8977000    
 C    1.305200     -0.5109000      0.5763000    
 C   -1.303500      0.4775000      0.5818000    
 C    1.081000      0.8658000      0.5825000    
 C  -0.2233000       1.360000      0.5851000    
 C   0.2250000      -1.393500      0.5728000    
 C   -1.079300     -0.8993000      0.5755000    
 C    5.408500       1.966600      -2.315200    
 C   -5.426400      -1.922500      -2.328600    
 H    4.228200     -0.3411000      -1.479400    
 H    3.081000      0.9633000      -1.275700    
 H   -4.235900      0.3718000      -1.474200    
 H   -3.094000     -0.9396000      -1.281500    
 H    3.535200      0.8069000       1.300600    
 H    4.635400     -0.4557000      0.9500000    
 H   -3.550100     -0.8105000       1.289200    
 H   -4.644700      0.4603000      0.9563000    
 H    6.029400       1.086100     -0.4591000    
 H    4.867100       2.403200     -0.2816000    
 H   -6.042200      -1.056100     -0.4645000    
 H   -4.885400      -2.379800     -0.2994000    
 H    1.858900       1.619600      0.5806000    
 H  -0.3482000       2.439100      0.5886000    
 H   0.3531000      -2.472400      0.5669000    
 H   -1.862900      -1.647600      0.5685000    
 H    4.528700       2.438500      -2.764300    
 H    6.228000       2.691900      -2.330400    
 H    5.697600       1.114300      -2.938300    
 H   -4.549000      -2.394100      -2.782600    
 H   -6.249000      -2.644200      -2.349700    
 H   -5.712400      -1.063500      -2.944000    


%chk=000088056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088056

0 1
O 4.154832 -2.609660 0.139231
O -4.160830 2.611266 0.189460
N 2.715146 -0.878145 0.340614
N -2.720798 0.876777 0.360894
N 2.920444 -2.258633 0.149549
N -2.926440 2.259790 0.191208
C 4.359202 0.642676 -0.835510
C -4.364951 -0.628410 -0.834578
C 3.869714 0.035861 0.501062
C -3.875032 -0.039336 0.509807
C 5.585909 1.558739 -0.625087
C -5.593605 -1.544481 -0.636615
C 1.354701 -0.440749 0.341932
C -1.360375 0.439303 0.352038
C 1.038285 0.945132 0.345570
C -0.296806 1.380990 0.356116
C 0.291126 -1.382455 0.340050
C -1.044015 -0.946556 0.339439
C 6.102014 2.163804 -1.948141
C -6.109181 -2.132937 -1.967344
H 4.624825 -0.181345 -1.524870
H 3.542787 1.215825 -1.317469
H -4.628315 0.204882 -1.513627
H -3.549277 -1.197027 -1.323119
H 3.597562 0.823300 1.225302
H 4.681791 -0.574123 0.937836
H -3.602807 -0.836342 1.223466
H -4.687036 0.564600 0.955046
H 6.396992 0.977069 -0.142573
H 5.323741 2.375535 0.078675
H -6.404218 -0.967067 -0.148260
H -5.333967 -2.370149 0.057712
H 1.829706 1.699419 0.338752
H -0.524072 2.448429 0.364003
H 0.518479 -2.449923 0.335629
H -1.835351 -1.700856 0.327873
H 5.320969 2.774098 -2.439234
H 6.979931 2.812728 -1.776928
H 6.402081 1.369029 -2.656181
H -5.328251 -2.737867 -2.465214
H -6.987733 -2.783196 -1.804635
H -6.408178 -1.329493 -2.665979


