%chk=000125369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125369

0 1
 I    4.271300      0.4543000      0.9693000    
 O   -1.566200       1.616500     -0.9014000    
 O   -3.063700       1.017700      0.6943000    
 O    1.855800      -1.276700      -1.022900    
 N   0.7007000      2.9600000E-02  0.5131000    
 N   -2.615800      -1.625300      7.3899999E-02
 C   -1.545900     -0.6688000     -0.2023000    
 C  -0.3774000     -0.8921000      0.7588000    
 C   -2.156100      0.7164000     -6.9499999E-02
 C    1.739000     -0.2429000     -0.3671000    
 C    2.758200      0.8712000     -0.4461000    
 H   -1.229200     -0.8049000      -1.242900    
 H   3.5000001E-03  -1.916300      0.6712000    
 H  -0.6903000     -0.7348000       1.797700    
 H   0.6920000      0.9136000       1.013500    
 H   -2.903000      -1.551600       1.049700    
 H   -2.260400      -2.574300     -3.8600001E-02
 H    2.282300       1.838000     -0.2525000    
 H    3.156600      0.9036000      -1.465600    
 H   -1.958300       2.510900     -0.8085000    


%chk=000125369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125369

0 1
I 2.869067 2.659609 -0.044473
O -1.401883 1.749746 0.586220
O -3.543923 0.859479 0.551442
O 2.089501 -1.653450 -0.682664
N 0.798231 0.009643 0.330323
N -2.578928 -1.666409 0.015821
C -1.632966 -0.566179 -0.122251
C -0.318786 -0.880911 0.665074
C -2.318527 0.710508 0.366872
C 1.913075 -0.444481 -0.320031
C 3.054383 0.519158 -0.651173
H -1.326237 -0.354767 -1.177464
H -0.008518 -1.905992 0.401991
H -0.531903 -0.853271 1.748447
H 0.693300 1.006494 0.544757
H -3.561524 -1.396327 0.094996
H -2.392793 -2.492906 -0.550848
H 3.204128 0.546515 -1.740869
H 3.974934 0.167122 -0.162286
H -1.887532 2.570521 0.870216


