%chk=000129642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129642

0 1
 I  -0.7480000     -0.3003000       3.308600    
 O   0.1926000       1.175500      0.6113000    
 O   -5.389600     -0.7971000      -1.413500    
 O   -5.463700      -1.599500      0.6285000    
 O    3.991600       2.575500       1.100500    
 O    1.827300       2.912500       1.246500    
 O    4.329200      -3.229100      -1.072600    
 O    5.708000      -1.624600     -0.4866000    
 N   -4.877200     -0.9697000     -0.2827000    
 N    2.808200       2.184200      0.9652000    
 N    4.545700      -2.070700     -0.6419000    
 C  -0.9885000       1.549100      -1.919800    
 C   -1.666100      0.8031000     -0.8172000    
 C   -1.048400      0.6386000      0.4225000    
 C   -2.934400      0.2675000      -1.040900    
 C   -1.768200       2.807900      -2.341700    
 C  -0.7193000      0.6623000      -3.149100    
 C   -2.967500     -0.5971000       1.215000    
 C   -3.585100     -0.4326000     -2.4900001E-02
 C   -1.699000     -6.1400000E-02   1.438700    
 C   -3.693800      -1.353300       2.286900    
 C    1.284900      0.3842000      0.3066000    
 C    2.570700      0.8701000      0.4760000    
 C    1.054000     -0.8962000     -0.1699000    
 C    3.656300      5.2999999E-02  0.1603000    
 C    3.440700      -1.238600     -0.3204000    
 C    2.139600      -1.713200     -0.4854000    
 H  -9.1000004E-03   1.917400      -1.596200    
 H   -3.401700      0.4041000      -2.012800    
 H   -2.738800       2.562200      -2.785600    
 H   -1.200400       3.380300      -3.083400    
 H   -1.948200       3.460600      -1.480200    
 H  -0.1491000     -0.2312000      -2.874800    
 H  -0.1383000       1.212500      -3.897400    
 H   -1.646900      0.3324000      -3.629100    
 H   -3.856700      -2.397400       1.994700    
 H   -3.167200      -1.448900       3.234900    
 H   -4.619200     -0.8414000       2.576100    
 H   7.6800004E-02  -1.338400     -0.3264000    
 H    4.671900      0.4204000      0.2880000    
 H    1.934800      -2.713800     -0.8578000    


%chk=000129642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129642

0 1
I -0.761374 -0.579526 3.297665
O 0.204650 0.930188 0.679679
O -5.443093 -0.889921 -1.532263
O -6.008153 -0.693713 0.666406
O 3.721419 2.615960 1.405727
O 1.852547 3.077508 0.175504
O 4.774795 -3.231801 -0.942267
O 6.027976 -1.380088 -0.474015
N -5.147273 -0.670990 -0.294036
N 2.715859 2.265169 0.679525
N 4.900624 -1.996477 -0.588542
C -0.977743 1.583344 -1.894883
C -1.713298 0.784289 -0.816493
C -1.111097 0.446206 0.422930
C -3.043715 0.358116 -0.997367
C -1.780870 2.847113 -2.301136
C -0.679958 0.693918 -3.133526
C -3.150706 -0.676048 1.278247
C -3.730283 -0.333398 0.019872
C -1.802581 -0.248276 1.447311
C -3.875795 -1.467799 2.345693
C 1.311649 0.190668 0.280184
C 2.585855 0.822960 0.355332
C 1.240339 -1.167658 -0.117766
C 3.767352 0.110364 0.096161
C 3.663138 -1.237154 -0.294717
C 2.411466 -1.882393 -0.412998
H -0.018406 1.931158 -1.471704
H -3.573770 0.569817 -1.929381
H -2.743639 2.586227 -2.778378
H -1.197853 3.439882 -3.028381
H -1.989508 3.488712 -1.427206
H -0.065534 -0.185771 -2.868522
H -0.130440 1.278177 -3.893300
H -1.614886 0.329216 -3.597869
H -4.676094 -2.093891 1.926672
H -3.166681 -2.106014 2.897250
H -4.355466 -0.790076 3.076045
H 0.266473 -1.661353 -0.172465
H 4.744000 0.593381 0.186054
H 2.377971 -2.931124 -0.719042


