%chk=000076314.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076314

0 1
 O   0.6578000      -2.825200     -0.5104000    
 O   -1.774100      -1.690400      0.1625000    
 O    2.740700       2.673200      0.2382000    
 O    3.917100      0.9107000     -0.3352000    
 N   -3.105900      0.6539000     -0.1100000    
 N    2.826700       1.449900     -2.7799999E-02
 C   -2.022500       1.078800      0.7759000    
 C  -0.7112000      0.4380000      0.4058000    
 C  -0.6504000     -0.9190000      0.1163000    
 C   0.4303000       1.228000      0.3611000    
 C   0.5732000      -1.496100     -0.2235000    
 C    1.653700      0.6510000      2.1299999E-02
 C    1.725200     -0.7111000     -0.2710000    
 C   -2.806700       1.018800      -1.494300    
 C   -4.374000       1.247100      0.3124000    
 C   0.9202000      -3.707800      0.5788000    
 H   -2.245700      0.7908000       1.811900    
 H   -1.931300       2.173500      0.7665000    
 H   0.3526000       2.287100      0.5941000    
 H    2.665000      -1.187900     -0.5400000    
 H   -1.941300      0.4871000      -1.901300    
 H   -2.637000       2.096000      -1.609900    
 H   -3.645900      0.7437000      -2.144600    
 H   -5.195100      0.8905000     -0.3194000    
 H   -4.355600       2.342200      0.2684000    
 H   -4.616300      0.9470000       1.338000    
 H   -2.516300      -1.195600      0.5436000    
 H   0.1275000      -3.639500       1.330400    
 H    1.889500      -3.478500       1.032800    
 H   0.9484000      -4.730200      0.1921000    


%chk=000076314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076314

0 1
O 1.010131 -2.784444 -0.289506
O -1.601649 -1.538483 0.137557
O 2.981123 2.889820 0.062438
O 4.235046 1.009638 -0.268604
N -2.977865 0.557860 -0.078522
N 3.101882 1.603634 -0.066708
C -1.862602 1.242666 0.679624
C -0.511383 0.627957 0.339678
C -0.441968 -0.795075 0.150312
C 0.647173 1.414292 0.257929
C 0.835785 -1.417574 -0.051129
C 1.888563 0.781373 0.022992
C 1.992607 -0.620371 -0.118133
C -2.974355 0.924309 -1.526336
C -4.307136 0.784965 0.551347
C 0.253366 -3.750766 0.539565
H -2.079649 1.089789 1.755543
H -1.865197 2.335443 0.487592
H 0.616842 2.501278 0.376135
H 2.963722 -1.088855 -0.294119
H -1.972827 0.741063 -1.948593
H -3.236306 1.992268 -1.676212
H -3.703135 0.295472 -2.064466
H -5.080326 0.243864 -0.019240
H -4.574374 1.862633 0.574289
H -4.298818 0.397952 1.584346
H -2.414517 -0.790015 0.050785
H -0.831514 -3.613397 0.413720
H 0.529399 -3.634026 1.605215
H 0.576581 -4.737269 0.175202


