%chk=000115516.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115516

0 1
 O  -6.8200000E-02  0.1340000       2.354500    
 O   0.9821000     -0.2427000      -2.298600    
 O   0.4567000       3.831700     -0.2853000    
 N   0.1374000       1.956400      0.9984000    
 N   0.6880000       1.771100      -1.268400    
 C   8.6499996E-02 -0.2881000     -3.7200000E-02
 C   -1.367300     -0.7562000     -0.4329000    
 C   0.8260000      -1.629200      0.2983000    
 C   -1.408100      -2.265900     -0.1642000    
 C   2.1700000E-02  -2.717100     -0.4081000    
 C   -2.540000     -3.2900002E-02  0.2220000    
 C    2.319600      -1.685300      1.2000001E-03
 C   6.6399999E-02  0.5919000       1.218600    
 C   0.6551000      0.3880000      -1.292100    
 C   -3.875200     -0.5783000     -0.2751000    
 C    3.078800     -0.6015000      0.7614000    
 C   0.4189000       2.603500     -0.1939000    
 C   -5.043600      0.1607000      0.3574000    
 C    4.565000     -0.6401000      0.4440000    
 H   -1.492600     -0.6338000      -1.519200    
 H   0.7250000      -1.841600       1.372600    
 H   -2.102800      -2.791100     -0.8270000    
 H   -1.696700      -2.475900      0.8731000    
 H   0.2116000      -3.710600      9.8000001E-03
 H   0.2424000      -2.748500      -1.481100    
 H   -2.482400       1.038600     -3.5000001E-03
 H   -2.502600     -0.1411000       1.312200    
 H    2.526200      -1.617000      -1.071200    
 H    2.701900      -2.667400      0.3098000    
 H   -3.979000      -1.641300     -3.3700000E-02
 H   -3.938500     -0.4827000      -1.365300    
 H    2.938000     -0.7322000       1.840700    
 H    2.716400      0.3968000      0.5040000    
 H   2.2299999E-02   2.550500       1.814900    
 H   0.9733000       2.228600      -2.129800    
 H   -5.991900     -0.2422000     -1.2100000E-02
 H   -5.011000       1.227700      0.1146000    
 H   -5.031700      5.5399999E-02   1.447000    
 H    5.092900      0.1386000       1.003400    
 H    4.743000     -0.4712000     -0.6230000    
 H    4.999500      -1.607200      0.7166000    


%chk=000115516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115516

0 1
O -0.358457 0.019501 2.450695
O 0.740451 -0.096244 -2.291202
O 0.705784 3.877921 0.105624
N 0.128677 1.908522 1.228241
N 0.718694 1.844468 -1.050675
C 0.022048 -0.314972 0.045824
C -1.436897 -0.897351 -0.347840
C 0.893107 -1.624240 0.352088
C -1.396080 -2.379683 0.095779
C 0.054841 -2.799991 -0.206995
C -2.641976 -0.074241 0.155170
C 2.368337 -1.615198 -0.098973
C -0.076779 0.518347 1.328222
C 0.529391 0.452103 -1.176227
C -3.990106 -0.596298 -0.398202
C 3.246076 -0.543773 0.590510
C 0.526177 2.634689 0.094159
C -5.184619 0.275645 0.044350
C 4.732941 -0.651800 0.188827
H -1.449449 -0.891550 -1.456752
H 0.871157 -1.708834 1.457297
H -2.143419 -2.984410 -0.447452
H -1.605664 -2.461460 1.179903
H 0.338789 -3.756117 0.268342
H 0.211414 -2.897160 -1.298508
H -2.528533 0.987972 -0.150718
H -2.674030 -0.088583 1.261922
H 2.432835 -1.507591 -1.198485
H 2.786235 -2.615513 0.139359
H -4.150399 -1.638006 -0.058086
H -3.944529 -0.630055 -1.506098
H 3.149156 -0.641255 1.691201
H 2.878971 0.471496 0.334504
H 0.014820 2.454190 2.088945
H 1.023446 2.345370 -1.892065
H -6.138101 -0.115778 -0.354879
H -5.071422 1.316858 -0.312039
H -5.266782 0.305657 1.147051
H 5.343726 0.126323 0.681860
H 4.856423 -0.538892 -0.904546
H 5.146849 -1.637664 0.472669


