%chk=000064188.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064188

0 1
 O   -1.122000       1.289000     -0.1619000    
 O   -2.190700       1.330000      -2.212400    
 O    1.482400       1.009000      0.8233000    
 O    2.652100       3.908900       1.013600    
 O    3.016900       1.558800      -1.695400    
 O    5.349600     -0.1914000       1.430100    
 N    3.333700     -0.3357000      0.3155000    
 N    4.929000      -2.150600      0.3640000    
 N    4.492700      -4.154800     -0.7320000    
 C   -3.207800      0.1917000     -0.3840000    
 C   -5.428500     -0.9563000     -0.7344000    
 C   -4.909200      0.1342000       1.479800    
 C   -3.709000      -1.978700      0.8023000    
 C   -4.324800     -0.1168000      -1.401000    
 C   -3.807400      0.9694000      0.8044000    
 C   -2.612600      -1.134200      0.1293000    
 C   -6.013100     -0.1716000      0.4528000    
 C   -4.820300      -2.272900     -0.2204000    
 C   -4.303700      -1.188500       1.981200    
 C   -2.124200       1.001100      -1.036700    
 C  -4.1900001E-02   2.059800     -0.6979000    
 C   0.9896000       2.295800      0.3963000    
 C    2.199900       3.104800     -7.3600002E-02
 C    3.237800       2.044500     -0.3763000    
 C    2.907000      0.9863000      0.6645000    
 C    2.498800      -1.125200     -0.4638000    
 C    4.582100     -0.8639000      0.7391000    
 C    2.814600      -2.364200     -0.8360000    
 C    4.128800      -2.878400     -0.3701000    
 H   -6.219500      -1.172500      -1.461000    
 H   -5.332100      0.6914000       2.323100    
 H   -3.281200      -2.919900       1.165300    
 H   -4.757800      0.8128000      -1.793500    
 H   -3.922300     -0.6617000      -2.265400    
 H   -4.220100       1.927700      0.4626000    
 H   -3.034900       1.215500       1.544500    
 H   -2.162700      -1.697000     -0.6994000    
 H   -1.804300     -0.9523000      0.8496000    
 H   -6.814400     -0.7519000      0.9265000    
 H   -6.463900      0.7634000      9.8099999E-02
 H   -5.600400      -2.890100      0.2419000    
 H   -4.413200      -2.850100      -1.059700    
 H   -5.074800      -1.787000       2.481600    
 H   -3.524900     -0.9851000       2.726300    
 H   0.3952000       1.500400      -1.532200    
 H  -0.4284000       3.018000      -1.063500    
 H   0.5042000       2.751700       1.267000    
 H    1.963600       3.765700     -0.9134000    
 H    4.275700       2.381900     -0.2950000    
 H    3.339200       1.267900       1.632800    
 H    3.450900       4.376700      0.7156000    
 H    3.191400       2.292700      -2.309100    
 H    1.556700     -0.7004000     -0.7904000    
 H    2.169700      -2.980300      -1.448200    
 H    3.893700      -4.744100      -1.300700    
 H    5.380500      -4.546500     -0.4364000    


%chk=000064188-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064188

0 1
O -0.828126 1.176913 -0.263705
O -1.950595 1.418473 -2.288388
O 1.548897 1.512276 1.311732
O 2.472486 4.386550 1.092004
O 3.516518 1.971821 -1.454026
O 5.170188 0.128894 -0.274778
N 2.919710 -0.185318 0.275583
N 4.244066 -2.005454 -0.616428
N 3.283538 -4.079117 -1.012162
C -2.967935 0.060725 -0.467441
C -5.212154 -1.090180 -0.787278
C -4.624079 -0.083548 1.464885
C -3.439272 -2.176034 0.662177
C -4.126713 -0.214237 -1.466805
C -3.535554 0.795829 0.794168
C -2.346806 -1.301231 -0.010083
C -5.774340 -0.349682 0.457149
C -4.589493 -2.442317 -0.345647
C -3.998280 -1.434368 1.906840
C -1.908235 0.936970 -1.133684
C 0.262693 2.043107 -0.780629
C 1.009973 2.594474 0.436675
C 2.249027 3.405600 0.027055
C 3.386514 2.347625 -0.058886
C 2.904925 1.190177 0.897945
C 1.790928 -0.973759 0.276479
C 4.186801 -0.688639 -0.221391
C 1.842138 -2.281042 -0.173133
C 3.129231 -2.777080 -0.599571
H -6.029717 -1.275341 -1.511176
H -5.019148 0.451242 2.350969
H -2.986376 -3.138061 0.975063
H -4.559873 0.745493 -1.806208
H -3.729737 -0.718464 -2.368537
H -3.969691 1.769604 0.491337
H -2.712828 1.003035 1.503283
H -1.922130 -1.828760 -0.888437
H -1.521971 -1.108992 0.701720
H -6.565541 -0.959606 0.937121
H -6.239668 0.608360 0.149870
H -5.362834 -3.083363 0.122663
H -4.202233 -2.988357 -1.229679
H -4.763461 -2.060009 2.407899
H -3.186749 -1.255485 2.640364
H 0.920555 1.449701 -1.440263
H -0.177409 2.865116 -1.374531
H 0.336876 3.181421 1.080916
H 2.141651 3.890587 -0.962517
H 4.338616 2.748732 0.337353
H 3.534319 1.140170 1.803167
H 3.265985 4.935239 0.867346
H 4.319559 1.375910 -1.500658
H 0.880655 -0.499687 0.651802
H 0.942169 -2.898686 -0.180035
H 2.505813 -4.732593 -1.035362
H 4.212817 -4.377632 -1.304827


