%chk=000177342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177342

0 1
 I   -5.039200       1.198300      0.8289000    
 O  -0.9555000      -2.073900     -0.7091000    
 O   -3.419600     -0.8622000      -1.129800    
 O    2.580700       2.559300     -0.1672000    
 O   0.5157000       1.943200     -0.5859000    
 N    1.206600     -0.6172000      0.5035000    
 N    3.244400     -0.1756000     -0.2034000    
 N    1.702500       1.653600     -0.2580000    
 C   -1.138700     -0.7073000     -0.3249000    
 C  -0.2016000     -0.4238000      0.8564000    
 C   -2.629500     -0.4983000      4.3000001E-03
 C   -2.942500      0.9555000      0.3704000    
 C    2.046100      0.3228000      5.7999999E-03
 C    1.882000      -1.785100      0.6272000    
 C    3.148800      -1.489400      0.1819000    
 H  -0.8697000     -0.1152000      -1.205500    
 H  -0.3081000      0.5800000       1.274000    
 H  -0.4039000      -1.127200       1.674900    
 H   -2.925900      -1.169800      0.8197000    
 H   -2.369300       1.283900       1.241400    
 H   -2.703000       1.618500     -0.4687000    
 H    1.436400      -2.695200       1.004200    
 H   -1.216700      -2.633400      4.2300001E-02
 H   -3.191800      -1.779100      -1.360000    
 H    3.996900      -2.155600      0.1194000    


%chk=000177342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177342

0 1
I -4.936697 1.474748 0.956292
O -1.083574 -2.176426 -0.778808
O -3.476275 -0.896189 -1.090760
O 2.499623 2.584732 -0.508472
O 0.339975 1.972014 -0.056857
N 1.196588 -0.651824 0.564712
N 3.287685 -0.100459 -0.187288
N 1.617826 1.714047 -0.184194
C -1.165324 -0.784256 -0.273762
C -0.233224 -0.591749 0.940051
C -2.660197 -0.453145 0.036030
C -2.899961 1.047687 0.204037
C 2.039837 0.351088 0.054685
C 1.980820 -1.798096 0.628044
C 3.259662 -1.441209 0.165041
H -0.824164 -0.173938 -1.124704
H -0.427588 0.380491 1.414257
H -0.414391 -1.387620 1.687777
H -2.953502 -0.996522 0.965718
H -2.232357 1.520846 0.937037
H -2.835946 1.561995 -0.765446
H 1.582696 -2.745232 0.982081
H -1.295294 -2.806482 -0.039441
H -3.061662 -1.727814 -1.449355
H 4.140546 -2.069887 0.065122


