%chk=000148239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148239

0 1
 O   -1.531400     -0.5012000     -0.8820000    
 O    2.491700       1.318700     -0.8228000    
 O   -1.773500      -2.389800      -2.171300    
 O   0.5129000      -5.401400      0.5757000    
 O    2.811200     -7.8199998E-02  -2.617700    
 O   -2.462800       1.497600      0.6219000    
 N    1.044500     -0.3721000      -1.142100    
 N    3.153200      -5.582900       1.861200    
 N    3.622900      -6.475000       2.248300    
 C   0.4466000      -1.529500      -1.757500    
 C    1.064100      -2.823700      -1.212400    
 C   0.7133000      -3.109100      0.2620000    
 C   -1.071300      -1.536700      -1.638500    
 C    1.299300      -4.431500      0.7629000    
 C    2.176300      0.2568000      -1.623100    
 C   -2.951700     -0.4348000     -0.7171000    
 C    3.651100       2.066800      -1.206200    
 C   -3.319800      0.7593000      0.1416000    
 C    3.855000       3.188400     -0.2305000    
 C    2.517600      -4.377300       1.337800    
 C   -4.761500       1.035300      0.4058000    
 C    3.259500       4.428900     -0.4593000    
 C    4.639700       2.990500      0.9058000    
 C   -5.741400      0.2018000     -0.1337000    
 C   -5.130100       2.126500       1.192800    
 C    3.448800       5.471500      0.4477000    
 C    4.828900       4.033200       1.812800    
 C    4.233400       5.273700       1.583800    
 C   -7.089800      0.4596000      0.1135000    
 C   -6.478500       2.384100       1.440000    
 C   -7.458200       1.550600      0.9004000    
 H   0.6631000      -1.465400      -2.831500    
 H    2.155300      -2.787900      -1.327500    
 H   0.7126000      -3.661500      -1.829200    
 H    1.092600      -2.283800      0.8813000    
 H  -0.3760000      -3.090800      0.4108000    
 H   0.6185000      7.9999998E-04 -0.2987000    
 H   -3.409500     -0.3186000      -1.705100    
 H   -3.290400      -1.349100     -0.2184000    
 H    3.515500       2.466300      -2.219000    
 H    4.529300       1.409300      -1.215900    
 H    3.063600      -3.443500       1.426000    
 H    2.644200       4.594600      -1.339700    
 H    5.107000       2.028100       1.096300    
 H   -5.500100     -0.6586000     -0.7495000    
 H   -4.385200       2.789700       1.624000    
 H    2.984600       6.437100      0.2698000    
 H    5.439300       3.879200       2.697800    
 H    4.380500       6.085300       2.290200    
 H   -7.853200     -0.1892000     -0.3060000    
 H   -6.765900       3.233500       2.052800    
 H   -8.508100       1.751300       1.093100    


%chk=000148239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148239

0 1
O -1.787028 -0.623429 0.265778
O 2.297506 0.708890 1.370899
O -2.131346 -1.398713 -1.906989
O 1.817331 -5.394500 -1.042332
O 3.016125 -0.300326 -0.639030
O -3.102025 1.514552 -0.719592
N 0.742601 -0.155967 -0.024446
N 4.442094 -4.345133 -1.240927
N 5.297780 -5.126012 -1.458049
C 0.138426 -0.739240 -1.231203
C 0.814211 -2.059555 -1.715406
C 0.945407 -3.134737 -0.606805
C -1.363679 -0.957513 -1.030571
C 2.051888 -4.156562 -0.903462
C 2.086859 0.053585 0.145238
C -3.240258 -0.602989 0.471350
C 3.725071 1.065029 1.684556
C -3.837594 0.708448 -0.087497
C 4.080993 2.445769 1.178031
C 3.401679 -3.562401 -0.995063
C -5.291962 0.961363 0.145204
C 4.557158 2.623893 -0.147222
C 3.946742 3.577143 2.022028
C -6.128206 0.036436 0.829564
C -5.849872 2.174393 -0.345248
C 4.887754 3.913268 -0.618767
C 4.278095 4.867442 1.551625
C 4.749805 5.037628 0.229100
C -7.496156 0.322748 1.019971
C -7.215325 2.458067 -0.153289
C -8.041661 1.532688 0.530353
H 0.211236 -0.021197 -2.075882
H 1.808351 -1.787614 -2.102243
H 0.216271 -2.447162 -2.558814
H 1.181485 -2.639197 0.355395
H 0.004776 -3.697612 -0.479559
H 0.107454 0.191380 0.698282
H -3.703011 -1.471566 -0.034426
H -3.380254 -0.679961 1.561424
H 4.370953 0.288207 1.240401
H 3.754267 1.009582 2.784035
H 3.582097 -2.488825 -0.872541
H 4.652614 1.750175 -0.801762
H 3.580103 3.446571 3.047772
H -5.726595 -0.908686 1.211470
H -5.190484 2.871371 -0.873026
H 5.254757 4.041792 -1.643136
H 4.172253 5.735163 2.212252
H 5.009330 6.037472 -0.136810
H -8.136790 -0.393413 1.545225
H -7.638930 3.393630 -0.533443
H -9.104599 1.752524 0.678989


