%chk=000133047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133047

0 1
 O  -0.4969000      0.7977000       2.710800    
 O    1.206300       1.221900      0.2953000    
 O    1.467900      -1.264500     -0.9277000    
 O  -0.7360000      -3.409400      -1.402500    
 O   -3.448300      -2.944800      0.6189000    
 N   -1.312800       3.145800     -2.8899999E-02
 N   -1.068300      -2.518800      0.6256000    
 N   -2.106800      -3.532600      -1.142800    
 C   -2.332600       3.094300      -1.081900    
 C   -1.405300       1.976700      0.8290000    
 C  -0.3573000       1.997300       1.944300    
 C   -3.724900       3.062300     -0.4405000    
 C   -2.108200       1.829300      -1.917100    
 C   -2.187600       4.339100      -1.963600    
 C    1.076600       2.078800       1.425500    
 C    2.443600      0.6793000      7.3299997E-02
 C    2.571800     -0.5674000     -0.5391000    
 C    3.581900       1.383700      0.4658000    
 C    3.838100      -1.109400     -0.7592000    
 C    4.848100      0.8418000      0.2456000    
 C    4.976200     -0.4047000     -0.3669000    
 C    1.276200      -2.552300     -0.3451000    
 C  -0.1994000      -2.802900     -0.3114000    
 C   -2.224300      -2.984900      7.0500001E-02
 C   -3.578100      -2.356100       1.921900    
 H   -1.428000       3.991500      0.5291000    
 H   -2.373100       1.912300       1.338500    
 H   -1.286500       1.032700      0.2877000    
 H  -0.5416000       2.829900       2.632500    
 H   -3.973100       2.100700      2.0800000E-02
 H   -3.843400       3.850200      0.3127000    
 H   -4.495100       3.234800      -1.202800    
 H   -2.431800      0.9091000      -1.419300    
 H   -1.057600       1.716400      -2.210700    
 H   -2.690500       1.882900      -2.845800    
 H   -2.925200       4.338700      -2.774300    
 H   -2.334500       5.258600      -1.384800    
 H   -1.193000       4.388900      -2.422400    
 H    1.302300       3.104500       1.112200    
 H    1.749900       1.784100       2.241000    
 H  -0.2809000      4.7300000E-02   2.130700    
 H    3.530600       2.369700      0.9178000    
 H    3.954100      -2.075400      -1.243000    
 H    5.734900       1.393300      0.5441000    
 H    5.962400     -0.8250000     -0.5415000    
 H    1.779100      -3.310000     -0.9554000    
 H    1.670100      -2.591000      0.6779000    
 H   -2.984200      -2.915800       2.651300    
 H   -3.265100      -1.307300       1.896300    
 H   -4.630900      -2.403300       2.212800    


%chk=000133047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133047

0 1
O -1.054828 0.016288 2.705312
O 1.049744 0.331513 0.782900
O 1.493741 -1.688645 -1.053373
O -0.805041 -3.719376 -0.594219
O -3.532247 -2.650727 1.343295
N -1.564248 2.869326 0.286432
N -1.119505 -2.258926 1.100860
N -2.239640 -3.804005 -0.249787
C -1.899144 3.144083 -1.151744
C -1.687105 1.486685 0.795100
C -0.781090 1.285552 2.040104
C -3.331493 2.660948 -1.528511
C -0.851782 2.459523 -2.065133
C -1.804924 4.679302 -1.330240
C 0.702329 1.451913 1.685400
C 2.236934 0.405018 0.048350
C 2.455481 -0.658256 -0.878529
C 3.198755 1.436911 0.155708
C 3.596037 -0.661859 -1.701738
C 4.345041 1.423435 -0.672974
C 4.543153 0.385402 -1.608956
C 1.238824 -2.527116 0.149599
C -0.227317 -2.785632 0.263284
C -2.332213 -2.896286 0.763808
C -3.536649 -2.060005 2.714142
H -2.064748 3.532073 0.897078
H -2.723313 1.198168 1.086186
H -1.356844 0.783578 0.010787
H -1.023025 2.062425 2.792210
H -3.434434 1.569986 -1.383293
H -4.093140 3.164868 -0.902850
H -3.558201 2.881714 -2.588244
H -0.888835 1.357858 -1.990643
H 0.166567 2.786798 -1.790491
H -1.036633 2.725995 -3.121741
H -2.017747 4.965324 -2.375571
H -2.536383 5.201565 -0.682076
H -0.792708 5.034107 -1.066607
H 0.829403 2.417444 1.159693
H 1.338364 1.397966 2.589383
H -0.910338 -0.765631 2.076730
H 3.056584 2.252832 0.870171
H 3.718457 -1.484505 -2.413431
H 5.079529 2.231119 -0.584222
H 5.426057 0.381755 -2.255895
H 1.778647 -3.482493 0.014367
H 1.575645 -2.021646 1.068192
H -3.101051 -2.782977 3.425928
H -2.973253 -1.111676 2.742065
H -4.602615 -1.903711 2.928383


