%chk=000086379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086379

0 1
 O   -2.270800       1.610000      0.6561000    
 O    4.201600     -0.6181000      0.4883000    
 O   -3.382600     -0.9065000      0.2193000    
 N   0.6104000     -0.4863000     -0.3432000    
 C  -0.1536000      0.6315000      7.2700001E-02
 C    2.055500     -0.3904000     -0.5661000    
 C   0.5648000       1.942500      0.2867000    
 C   -1.495100      0.5415000      0.2639000    
 C  -3.1099999E-02  -1.703700     -0.5208000    
 C    2.800800     -0.6791000      0.7259000    
 C   -2.173900     -0.7758000      5.6100000E-02
 C   0.6111000       2.758100     -0.9859000    
 C   -1.337100      -1.923900     -0.3530000    
 H    2.364000      0.5705000     -0.9896000    
 H    2.371300      -1.116100      -1.329000    
 H   9.3099996E-02   2.532300       1.081500    
 H    1.579900       1.799800      0.6657000    
 H   0.6257000      -2.513700     -0.8201000    
 H    2.570500      -1.685100       1.092300    
 H    2.554200      2.3300000E-02   1.527100    
 H    1.173300       3.683000     -0.8191000    
 H  -0.3950000       3.040300      -1.314900    
 H    1.090900       2.221900      -1.810200    
 H   -1.793600      -2.893200     -0.5043000    
 H   -1.772100       2.437300      0.5845000    
 H    4.408600      0.2849000      0.1924000    


%chk=000086379-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086379

0 1
O -2.316038 1.565832 0.662189
O 4.301379 -0.822625 0.530419
O -3.479975 -0.907271 0.283384
N 0.630523 -0.466480 -0.381657
C -0.122409 0.645947 0.062350
C 2.102112 -0.415908 -0.542895
C 0.564669 1.993613 0.222421
C -1.494698 0.501677 0.268341
C -0.002815 -1.689917 -0.578841
C 2.859422 -0.723746 0.774428
C -2.225309 -0.779361 0.081303
C 0.507546 2.860642 -1.066139
C -1.353779 -1.865356 -0.368033
H 2.410737 0.565093 -0.944815
H 2.397371 -1.172691 -1.290089
H 0.095664 2.547567 1.061197
H 1.615022 1.866755 0.539388
H 0.643864 -2.504605 -0.917532
H 2.564660 -1.716344 1.151824
H 2.622277 0.028858 1.555260
H 0.987747 3.842689 -0.904795
H -0.536222 3.032061 -1.383935
H 1.024175 2.359711 -1.904609
H -1.812204 -2.842084 -0.544508
H -1.798951 2.400388 0.789408
H 4.686032 0.080557 0.402235


