%chk=000226738.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226738

0 1
 I   -1.075600      -3.489300     -0.3690000    
 O    3.479000     -7.5999998E-02 -0.1975000    
 O   -3.097000      0.5101000     -0.4233000    
 O    2.571100       1.961500      0.3321000    
 O   -3.095300      -1.001200       1.300700    
 N   0.9849000      -1.249900     -0.1473000    
 C  -0.1053000      0.6150000      0.3683000    
 C    1.140800      8.6800002E-02  0.1121000    
 C   -1.043200     -0.4414000      0.2593000    
 C  -0.3417000      -1.582900     -6.0100000E-02
 C  -0.4083000       2.024300      0.6962000    
 C    2.408400      0.7477000      9.9699996E-02
 C   -2.466500     -0.3583000      0.4439000    
 C    4.779800      0.5221000     -0.2271000    
 C   -4.517300      0.6410000     -0.2944000    
 C    5.803300     -0.5400000     -0.5682000    
 C   -5.016900       1.630500      -1.325400    
 H    1.731300      -1.894400     -0.3690000    
 H   0.1992000       2.366400       1.540600    
 H  -0.2034000       2.670800     -0.1634000    
 H   -1.455400       2.168700      0.9788000    
 H    4.798500       1.313200     -0.9846000    
 H    5.003900      0.9525000      0.7550000    
 H   -4.988300     -0.3345000     -0.4568000    
 H   -4.759000      0.9996000      0.7121000    
 H    6.811000     -0.1165000     -0.5994000    
 H    5.781500      -1.347500      0.1711000    
 H    5.579500     -0.9927000      -1.539800    
 H   -6.101000       1.755400      -1.254700    
 H   -4.538500       2.605700      -1.186800    
 H   -4.764700       1.293700      -2.336400    


%chk=000226738-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226738

0 1
I -0.577895 -3.776221 0.052249
O 3.487918 -0.061307 -0.095501
O -3.104111 0.594894 -0.211508
O 2.587417 2.101928 -0.236658
O -3.176910 -1.733021 -0.112229
N 1.125261 -1.267653 -0.067207
C -0.189045 0.595189 -0.189269
C 1.145306 0.137295 -0.145300
C -1.033522 -0.584713 -0.135298
C -0.172749 -1.712406 -0.061046
C -0.608606 2.037943 -0.274953
C 2.414924 0.858832 -0.167173
C -2.503176 -0.671453 -0.150136
C 4.856140 0.534352 -0.107955
C -4.598042 0.592666 -0.228396
C 5.844590 -0.619366 0.027083
C -5.039246 2.052265 -0.275582
H 1.974568 -1.831984 -0.023861
H 0.276548 2.691612 -0.300792
H -1.223241 2.213940 -1.175079
H -1.244873 2.311635 0.584744
H 4.982778 1.091425 -1.053882
H 4.928771 1.254350 0.727039
H -4.935990 0.018889 -1.110465
H -4.956925 0.069789 0.676587
H 6.877676 -0.226739 0.023026
H 5.687322 -1.166606 0.972458
H 5.742763 -1.329750 -0.811456
H -6.143055 2.108567 -0.291080
H -4.676095 2.603423 0.608822
H -4.653701 2.552626 -1.180481


