%chk=000042614.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042614

0 1
 O    2.628200      -1.096400     -0.3128000    
 O  -9.3599997E-02  -1.940900     -0.5551000    
 O   -3.354400       1.129600     -3.0300001E-02
 N    2.800500       1.126900      0.3357000    
 N   0.7172000      0.1825000      6.3199997E-02
 N   -1.980100      0.9647000     -0.2542000    
 N   -3.634600      -1.754600      0.6430000    
 C    4.243000       1.192800      0.3528000    
 C    4.858200     -0.1404000     -3.7300002E-02
 C    2.100500     -2.9899999E-02 -8.9999998E-04
 C  -0.2381000     -0.7778000     -0.2155000    
 C   -1.627800     -0.2627000     -5.6699999E-02
 C   -2.739800      -1.085400      0.3301000    
 C   -3.679000       2.491800     -0.2620000    
 H    4.547800       1.981800     -0.3414000    
 H    4.550400       1.484900       1.361500    
 H    2.278300       1.962400      0.5803000    
 H    4.639000     -0.9407000      0.6772000    
 H    4.636400     -0.4309000      -1.069500    
 H    5.949600     -2.5400000E-02 -5.4000001E-03
 H   0.4022000       1.109700      0.3357000    
 H   -4.749800       2.627100     -8.8600002E-02
 H   -3.453200       2.766100      -1.297200    
 H   -3.127000       3.137300      0.4281000    


%chk=000042614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042614

0 1
O 2.400157 -1.684430 -0.505219
O -0.411006 -2.130216 -1.384300
O -3.199244 1.257745 0.337090
N 2.748719 0.630865 -0.424411
N 0.555753 -0.180100 -0.436795
N -1.881995 0.782103 0.082271
N -4.007158 -1.794545 -1.138489
C 4.217684 0.549393 -0.333748
C 4.769711 1.205403 0.947855
C 1.956358 -0.511705 -0.470896
C -0.496746 -1.014391 -0.819510
C -1.862585 -0.411208 -0.496896
C -3.028608 -1.172554 -0.849945
C -3.133441 2.587419 0.988845
H 4.468012 -0.524344 -0.362981
H 4.667935 1.018767 -1.230312
H 2.322360 1.552110 -0.539162
H 4.516297 2.281096 0.998413
H 4.362614 0.709709 1.846153
H 5.871126 1.118206 0.973100
H 0.265469 0.714749 -0.022396
H -4.187434 2.860214 1.146055
H -2.638091 3.314451 0.323753
H -2.601986 2.513764 1.952224


