%chk=000078017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078017

0 1
 I    5.252700      0.6925000       1.362500    
 O   -2.417600       2.167700     -0.2575000    
 O   -3.808400      -1.678600     -0.1868000    
 O    3.013100      -1.647000     -0.1194000    
 O   -4.278300      0.3659000      0.6881000    
 N    2.074300      0.4961000     -0.3812000    
 C   0.7058000      0.2722000     -0.2296000    
 C   -2.031000     -0.1767000      7.2200000E-02
 C  -0.1896000       1.338000     -0.3186000    
 C   -1.558100       1.113600     -0.1677000    
 C   0.2328000      -1.018000      1.0400000E-02
 C   -1.135500      -1.242400      0.1613000    
 C    3.117100     -0.4404000     -0.3255000    
 C   -3.455700     -0.4328000      0.2312000    
 C    4.478600      0.1899000     -0.5394000    
 H   0.1717000       2.346800     -0.5054000    
 H   0.8625000      -1.892400      9.4899997E-02
 H   -1.473200      -2.256400      0.3598000    
 H    2.337300       1.464700     -0.5499000    
 H    4.396500       1.069700      -1.185700    
 H    5.117500     -0.5335000      -1.056500    
 H   -3.337200       1.867400     -0.1823000    
 H   -4.769400      -1.842400     -7.6300003E-02


%chk=000078017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078017

0 1
I 4.912647 2.298952 -0.209340
O -2.335490 2.200101 0.252508
O -3.993751 -1.709365 -0.026291
O 3.044643 -1.701491 -0.499244
O -4.354550 0.564769 0.228167
N 2.108544 0.445280 -0.225727
C 0.716067 0.168759 -0.158555
C -2.084309 -0.241672 -0.009223
C -0.144280 1.277461 0.011175
C -1.540010 1.087707 0.087131
C 0.190264 -1.157059 -0.255946
C -1.195081 -1.338334 -0.179967
C 3.153487 -0.443184 -0.383206
C -3.532455 -0.403381 0.073690
C 4.584604 0.106567 -0.427993
H 0.241324 2.299575 0.087631
H 0.868071 -2.000798 -0.386238
H -1.620430 -2.343439 -0.252278
H 2.376232 1.434151 -0.144913
H 5.037548 -0.154235 -1.396360
H 5.167791 -0.352037 0.384584
H -3.308841 1.894640 0.287921
H -4.986127 -1.709069 0.041072


