%chk=000040341.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040341

0 1
 I    4.463600      -2.036900      0.3630000    
 O  -0.7883000      -1.089100      -1.414600    
 O   -2.874900     -0.6105000       1.460700    
 O   -4.860500     -0.4804000      0.3707000    
 N   -1.544800      0.7950000     -0.2945000    
 C   0.8204000      0.2228000     -0.3241000    
 C  -0.5430000     -8.0399998E-02 -0.7294000    
 C   -2.947300      0.6164000     -0.5943000    
 C    1.758700     -0.8024000     -0.2047000    
 C    1.189100       1.540600     -5.3300001E-02
 C    3.065500     -0.5100000      0.1853000    
 C    2.496000       1.833000      0.3369000    
 C    3.434200      0.8077000      0.4560000    
 C   -3.668900     -0.2058000      0.4423000    
 H   -3.047600      0.1207000      -1.564100    
 H   -3.400300       1.611100     -0.6290000    
 H   -1.314500       1.560600      0.3298000    
 H    1.469300      -1.830500     -0.4112000    
 H   0.5000000       2.372700     -0.1635000    
 H    2.785300       2.859900      0.5409000    
 H    4.447500       1.058000      0.7598000    
 H   -3.367300      -1.142800       2.121300    


%chk=000040341-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040341

0 1
I 5.032286 -1.219900 -1.293940
O -0.576551 -1.097312 -1.768200
O -3.446064 1.123075 1.430685
O -5.193515 0.197593 0.203303
N -1.532426 0.130372 -0.059922
C 0.924320 0.125434 -0.288020
C -0.434812 -0.325853 -0.765361
C -2.877573 -0.252254 -0.484867
C 2.041717 -0.550775 -0.842576
C 1.132487 1.174243 0.644259
C 3.341812 -0.184957 -0.449255
C 2.443867 1.530154 1.025730
C 3.561181 0.851149 0.486556
C -3.970146 0.351848 0.376823
H -3.001641 -1.353728 -0.474110
H -3.058233 0.046259 -1.535631
H -1.450139 0.692598 0.787665
H 1.849602 -1.340891 -1.574220
H 0.292635 1.741844 1.061284
H 2.606320 2.343531 1.740727
H 4.575264 1.130564 0.785845
H -4.188191 1.496705 1.977226