%chk=000102841.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102841

0 1
 O   -2.216100       1.879000      0.6679000    
 O   -3.542900     -0.3546000     -0.3190000    
 N    4.279200     -0.5233000      0.4933000    
 N    2.671200       2.136000     -0.8950000    
 C    2.930700     -0.3582000     -7.3399998E-02
 C    1.919800     -0.6832000       1.057700    
 C   0.4546000     -0.5918000      0.6893000    
 C    2.797000      -1.312600      -1.269200    
 C  -0.2081000      0.6122000      0.8508000    
 C  -0.1898000      -1.714400      0.1996000    
 C   -1.558700      0.6963000      0.5119000    
 C   -2.224500     -0.4250000      1.6600000E-02
 C   -1.540100      -1.630200     -0.1393000    
 C    2.786700       1.039500     -0.5320000    
 C   -2.210100       2.775400     -0.4416000    
 C   -4.149100      -1.545200     -0.8177000    
 H    2.096300     -1.8800000E-02   1.917300    
 H    2.110300      -1.695100       1.445500    
 H    2.862200      -2.360900     -0.9556000    
 H    3.587700      -1.139000      -2.010500    
 H    1.846200      -1.173800      -1.796200    
 H   0.3048000       1.486600       1.241900    
 H   0.3342000      -2.657900      7.7000000E-02
 H    4.982000     -0.3884000     -0.2335000    
 H    4.400300      -1.481100      0.8218000    
 H   -1.992100      -2.540800     -0.5172000    
 H   -2.686200       2.313900      -1.312500    
 H   -1.186000       3.074100     -0.6872000    
 H   -2.778000       3.667600     -0.1643000    
 H   -5.196200      -1.307800      -1.032900    
 H   -4.151900      -2.342100     -6.6200003E-02
 H   -3.695100      -1.864200      -1.762100    


%chk=000102841-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102841

0 1
O -1.987057 2.012334 0.590486
O -3.506090 -0.168178 -0.404799
N 4.445479 -0.615921 0.615857
N 2.894319 2.161969 -0.666687
C 3.114828 -0.431173 -0.012858
C 2.044458 -0.809652 1.079208
C 0.589401 -0.666888 0.667488
C 2.914681 -1.266856 -1.315245
C -0.066005 0.587594 0.752598
C -0.150966 -1.775127 0.192497
C -1.414807 0.747807 0.377128
C -2.152107 -0.384673 -0.093633
C -1.504875 -1.638693 -0.188290
C 2.989919 1.012860 -0.361263
C -2.673061 2.656779 -0.548852
C -4.302306 -1.332184 -0.799984
H 2.268068 -0.191193 1.966569
H 2.251481 -1.864414 1.352273
H 3.001171 -2.341830 -1.070160
H 3.692013 -1.011926 -2.057401
H 1.923817 -1.087912 -1.766390
H 0.460006 1.476765 1.116029
H 0.326167 -2.760304 0.125579
H 5.238213 -0.363472 0.017781
H 4.558580 -1.530357 1.064268
H -2.053533 -2.518262 -0.538427
H -3.539349 2.060307 -0.879214
H -1.965882 2.802353 -1.388279
H -2.999618 3.634686 -0.163805
H -5.320027 -0.943955 -0.952790
H -4.311007 -2.100101 -0.002480
H -3.927611 -1.778184 -1.742006


%chk=000102841-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102841

0 1
O -1.987057 2.012334 0.590486
O -3.506090 -0.168178 -0.404799
N 4.445479 -0.615921 0.615857
N 2.894319 2.161969 -0.666687
C 3.114828 -0.431173 -0.012858
C 2.044458 -0.809652 1.079208
C 0.589401 -0.666888 0.667488
C 2.914681 -1.266856 -1.315245
C -0.066005 0.587594 0.752598
C -0.150966 -1.775127 0.192497
C -1.414807 0.747807 0.377128
C -2.152107 -0.384673 -0.093633
C -1.504875 -1.638693 -0.188290
C 2.989919 1.012860 -0.361263
C -2.673061 2.656779 -0.548852
C -4.302306 -1.332184 -0.799984
H 2.268068 -0.191193 1.966569
H 2.251481 -1.864414 1.352273
H 3.001171 -2.341830 -1.070160
H 3.692013 -1.011926 -2.057401
H 1.923817 -1.087912 -1.766390
H 0.460006 1.476765 1.116029
H 0.326167 -2.760304 0.125579
H 5.238213 -0.363472 0.017781
H 4.558580 -1.530357 1.064268
H -2.053533 -2.518262 -0.538427
H -3.539349 2.060307 -0.879214
H -1.965882 2.802353 -1.388279
H -2.999618 3.634686 -0.163805
H -5.320027 -0.943955 -0.952790
H -4.311007 -2.100101 -0.002480
H -3.927611 -1.778184 -1.742006


