%chk=000122768.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122768

0 1
 I   -3.922400      -1.688300      0.2021000    
 O    1.306400      -1.612200     -0.9950000    
 O    2.941500      -1.438400      0.5759000    
 N   -1.213400     -0.3332000      0.6020000    
 N    3.153500       1.246900     -7.3700003E-02
 N   -2.634300      0.9302000     -0.5457000    
 C   0.8485000       1.055400      0.7367000    
 C    1.872300      0.5758000     -0.3014000    
 C  -0.5791000      0.8134000      0.3015000    
 C   -1.436900       1.583800     -0.3955000    
 C    2.130100     -0.9123000     -0.1727000    
 C   -2.466200     -0.2212000      6.6000000E-02
 H   0.9545000       2.136800      0.8998000    
 H    1.021500      0.5762000       1.709600    
 H    1.556100      0.8002000      -1.326600    
 H  -0.8504000      -1.125000       1.116900    
 H   -1.282300       2.570900     -0.8059000    
 H    3.448500       1.110100      0.8930000    
 H    3.035300       2.253200     -0.1876000    
 H    1.447000      -2.579800     -0.9162000    


%chk=000122768-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122768

0 1
I -3.867034 -1.956174 0.397797
O 2.623012 -1.413910 -1.232189
O 1.292697 -1.608393 0.654595
N -1.247992 -0.338382 0.596743
N 3.137597 1.206019 0.043720
N -2.925688 0.925328 -0.244028
C 0.742146 1.276615 0.651318
C 1.808000 0.662792 -0.293407
C -0.687477 0.926883 0.344090
C -1.744548 1.687878 -0.170196
C 1.828613 -0.877352 -0.216592
C -2.583028 -0.281637 0.222285
H 0.861176 2.370485 0.575592
H 0.992912 0.993967 1.693969
H 1.576200 0.939678 -1.336921
H -0.710787 -1.140187 0.941273
H -1.737206 2.729931 -0.482212
H 3.427915 1.049877 1.014289
H 3.873474 0.993602 -0.635768
H 2.670216 -2.404522 -1.141157


