%chk=000088352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088352

0 1
 O   -5.890200      -1.403100       1.257600    
 O  -0.1566000       2.506400      -1.823700    
 O  -0.8728000       2.343000      0.2449000    
 N   -6.073200     -0.3920000      0.3399000    
 N   6.6100001E-02 -0.2946000     -0.8032000    
 N    4.026300     -0.2900000      0.5675000    
 N   5.1300000E-02   2.352900     -0.5991000    
 C   -4.898500     -0.3043000     -0.5601000    
 C   -3.590900     -0.4161000      0.2101000    
 C   -2.360600     -0.3509000     -0.7029000    
 C   -1.048700     -0.4024000      7.6899998E-02
 C    1.408000     -0.2608000     -0.3362000    
 C   -7.322200     -0.6852000     -0.4538000    
 C   -6.260600      0.9052000       1.087000    
 C    2.045700      0.9431000     -2.0300001E-02
 C    2.080700      -1.479300     -0.2000000    
 C    3.373900      0.8809000      0.4344000    
 C    3.407400      -1.446700      0.2618000    
 C    1.393800       2.182000     -0.1479000    
 C    1.464200      -2.704000     -0.5103000    
 C    4.014400       2.076100      0.7503000    
 C    4.082400      -2.656600      0.3996000    
 C    2.056400       3.362500      0.1747000    
 C    3.369400       3.309000      0.6248000    
 C    2.161200      -3.899700     -0.3639000    
 C    3.473000      -3.875600      9.2000000E-02
 H   -4.980300      -1.143500      -1.261200    
 H   -4.976900      0.6324000      -1.122700    
 H   -3.545900      -1.359000      0.7678000    
 H   -3.512500      0.3877000      0.9499000    
 H   -2.403500      0.5709000      -1.295800    
 H   -2.396100      -1.181000      -1.420300    
 H   -1.008900      -1.390200      0.5566000    
 H   -1.028200      0.2832000      0.9251000    
 H  -3.3799998E-02 -0.7404000      -1.711700    
 H   -7.182000      -1.650400     -0.9479000    
 H   -8.158400     -0.7352000      0.2489000    
 H   -7.455800      0.1209000      -1.179400    
 H   -5.396300       1.065900       1.733600    
 H   -6.373400       1.708700      0.3548000    
 H   -7.162600      0.8028000       1.697500    
 H   0.4429000      -2.768800     -0.8750000    
 H    5.043300       2.060600       1.105100    
 H    5.111300      -2.664100      0.7550000    
 H    1.568700       4.330000      8.2500003E-02
 H    3.896000       4.224200      0.8793000    
 H    1.683600      -4.844300     -0.6055000    
 H    4.025900      -4.802900      0.2095000    


%chk=000088352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088352

0 1
O -6.239438 -0.886324 1.301622
O -0.288565 0.963743 -1.992821
O -1.289010 2.543701 -0.677877
N -6.173622 0.138951 0.305612
N 0.007820 -1.275140 -0.149535
N 4.039934 -0.161031 0.591290
N -0.303413 1.741107 -0.958309
C -4.874855 -0.012974 -0.530966
C -3.636818 -0.067217 0.369419
C -2.440453 -0.711917 -0.364362
C -1.179278 -0.706488 0.525739
C 1.306428 -0.817389 -0.139873
C -7.367738 -0.000988 -0.627320
C -6.216466 1.505297 0.980916
C 1.692870 0.555225 0.097060
C 2.382842 -1.777704 -0.326046
C 3.057414 0.787630 0.575967
C 3.728616 -1.390663 0.059864
C 0.878134 1.735882 -0.069170
C 2.173417 -3.103759 -0.829598
C 3.414432 2.090402 1.080564
C 4.792537 -2.348990 -0.064358
C 1.254702 2.994220 0.409495
C 2.524430 3.159532 1.038651
C 3.230610 -4.007610 -0.955274
C 4.554081 -3.627864 -0.561944
H -5.002676 -0.974808 -1.057083
H -4.823745 0.809468 -1.270107
H -3.932316 -0.661175 1.257934
H -3.348351 0.950385 0.696625
H -2.217268 -0.177019 -1.305967
H -2.696620 -1.758310 -0.633000
H -1.379621 -1.306156 1.439462
H -0.955551 0.312510 0.874072
H -0.109261 -2.256726 -0.407597
H -7.334384 -1.020882 -1.036530
H -8.273293 0.108628 -0.013042
H -7.344305 0.752137 -1.437176
H -5.375692 1.547439 1.685722
H -6.155154 2.328299 0.245255
H -7.158040 1.549161 1.547198
H 1.182927 -3.425079 -1.176576
H 4.430000 2.194941 1.473779
H 5.790381 -2.021485 0.242377
H 0.591857 3.845766 0.233696
H 2.814278 4.143176 1.420409
H 3.048978 -5.007581 -1.362994
H 5.376247 -4.345018 -0.659004


