%chk=000072197.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072197

0 1
 I   -3.939200      -1.029400      -2.011500    
 O   -1.239200     -0.4151000      -1.141600    
 O   -4.974400     -0.2835000       1.106000    
 O    1.390900       2.677700     -0.4555000    
 O    4.632500     -0.4718000      0.3943000    
 N   0.7462000      0.4452000     -0.2483000    
 N    2.997500       1.096500     -3.2299999E-02
 C   -2.812200      0.4556000      0.4094000    
 C   -1.421300      0.8974000      0.8196000    
 C  -0.6457000      0.7042000     -0.4689000    
 C   -2.493300     -0.7267000     -0.5037000    
 C   -3.700600      0.1041000       1.592400    
 C    1.129300     -0.8615000     -2.5400000E-02
 C    1.675600       1.493900     -0.2619000    
 C    2.395000      -1.238400      0.1938000    
 C    3.452600     -0.1928000      0.1986000    
 C    2.806300      -2.655300      0.4351000    
 H   -3.278800       1.265700     -0.1682000    
 H   -1.383400       1.930300       1.179800    
 H   -1.035600      0.2542000       1.621000    
 H  -0.7667000       1.578800      -1.119500    
 H   -2.337300      -1.644800      7.4600004E-02
 H   -3.827200      0.9612000       2.261700    
 H   -3.289100     -0.7256000       2.176000    
 H   0.3504000      -1.616100     -5.7000001E-03
 H    3.698100       1.832600     -3.5000000E-02
 H   -5.347500      0.4716000      0.6201000    
 H    3.517700      -2.982500     -0.3301000    
 H    1.952100      -3.340000      0.4091000    
 H    3.281200      -2.753600       1.416800    


%chk=000072197-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072197

0 1
I -3.731322 1.515316 -2.365274
O -1.397024 -0.189316 -1.215880
O -4.341232 -1.409926 1.208563
O 1.533417 2.408088 -1.409312
O 4.617190 -0.719931 0.186709
N 0.712329 0.481074 -0.315658
N 3.032462 0.803678 -0.595582
C -2.875735 0.502583 0.527814
C -1.499688 1.200590 0.764722
C -0.665127 0.919026 -0.519007
C -2.774406 -0.011672 -0.926966
C -3.098287 -0.689509 1.493830
C 0.987342 -0.736667 0.321706
C 1.749479 1.312602 -0.826102
C 2.257217 -1.214092 0.531560
C 3.398629 -0.410982 0.058101
C 2.552399 -2.530462 1.205375
H -3.715822 1.207229 0.639372
H -1.608504 2.286883 0.906755
H -0.992632 0.792032 1.657565
H -0.627336 1.791825 -1.192578
H -3.327395 -0.929617 -1.159105
H -3.069985 -0.321286 2.541306
H -2.307304 -1.450126 1.369090
H 0.105617 -1.310094 0.618202
H 3.803930 1.381578 -0.945294
H -5.117900 -0.826803 1.403733
H 3.120927 -3.194483 0.529567
H 1.625950 -3.046310 1.510035
H 3.186708 -2.379330 2.097451


