%chk=000102728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102728

0 1
 I    2.108000      -1.165100      -3.128900    
 O  -0.2310000      -1.105400     -0.8663000    
 O    2.193900       1.139600      0.5215000    
 O    3.426900      -1.317100     -0.5509000    
 O   -3.315100       1.467600      -1.719700    
 O    1.823500       3.307700     -0.1846000    
 O   -5.858400     -0.6853000       1.464900    
 O    2.913500      -2.067800       1.574500    
 N   -2.255100     -6.3500002E-02 -0.3087000    
 N   -4.579800      0.3950000     -0.1326000    
 C    1.272300      0.6609000     -0.4350000    
 C    1.067600     -0.8398000     -0.3109000    
 C  -0.1280000       1.171100     -0.1901000    
 C  -0.9666000      0.1285000     -0.9074000    
 C    2.117000      -1.653700      -1.046100    
 C   -3.371200      0.6592000     -0.7904000    
 C   -2.403800     -0.9591000      0.7432000    
 C    2.377800       2.493100      0.5409000    
 C   -3.562400      -1.200400       1.360100    
 C   -4.777500     -0.4866000      0.9187000    
 C    3.685000      -1.575200      0.7627000    
 C    3.376000       2.854000       1.599000    
 C    5.087400      -1.157600       1.086200    
 H    1.588200      0.9921000      -1.426900    
 H    1.011900      -1.115200      0.7460000    
 H  -0.3416000       1.206200      0.8863000    
 H  -0.3222000       2.173900     -0.5817000    
 H   -1.082400      0.3993000      -1.963600    
 H    1.942500      -2.730000     -0.9329000    
 H   -1.513500      -1.473300       1.087300    
 H   -5.395800      0.9032000     -0.4620000    
 H   -3.639500      -1.900300       2.183000    
 H    4.346300       2.412900       1.358000    
 H    3.025500       2.505200       2.573800    
 H    3.485600       3.941500       1.638600    
 H    5.279400      -1.325300       2.149800    
 H    5.794700      -1.753600      0.5043000    
 H    5.215700     -9.3000002E-02  0.8752000    


%chk=000102728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102728

0 1
I 1.766424 -1.470949 -2.718570
O -0.261256 -1.126758 0.074648
O 1.788500 1.462728 1.201159
O 3.432856 -1.217395 -0.163485
O -3.115337 -0.046099 -2.469245
O 2.338343 3.317900 -0.103193
O -6.358383 -0.255783 0.895377
O 4.153276 -3.437879 -0.384432
N -2.389692 -0.092926 -0.221679
N -4.695575 -0.161426 -0.744805
C 1.219398 0.811773 -0.009324
C 1.129238 -0.706389 0.297696
C -0.237647 1.259291 -0.264128
C -0.983794 -0.039068 -0.645308
C 2.081568 -1.613915 -0.495110
C -3.388075 -0.103018 -1.240984
C -2.721308 -0.162768 1.131575
C 2.348155 2.742076 1.004787
C -4.017435 -0.217335 1.574867
C -5.127047 -0.214404 0.620901
C 4.436864 -2.245122 -0.189672
C 2.931704 3.260544 2.298440
C 5.792844 -1.629346 0.028112
H 1.875036 1.029786 -0.867977
H 1.360721 -0.873955 1.368091
H -0.653835 1.676059 0.670561
H -0.309217 2.022030 -1.053627
H -0.977014 -0.227403 -1.731246
H 1.909540 -2.684521 -0.300619
H -1.868327 -0.206488 1.812960
H -5.434954 -0.164073 -1.455325
H -4.253978 -0.281342 2.637007
H 3.758524 2.607773 2.628951
H 2.168613 3.250715 3.095326
H 3.306675 4.283202 2.151580
H 6.524041 -2.413217 0.272173
H 6.110206 -1.116208 -0.898178
H 5.755145 -0.872389 0.827995


