%chk=000047730.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047730

0 1
 O    7.877700       1.046100       1.000700    
 O   -1.111700      0.2461000      -1.447700    
 O    1.502000      0.8855000      -1.523700    
 O   -4.678900      -2.333600      0.4138000    
 O   -4.954000       2.447800      0.3503000    
 O   -6.063100     -6.2000002E-03  0.9981000    
 N    5.529700     -0.4213000      0.3409000    
 N    2.155000      -1.278800     -0.9719000    
 C    5.842800      0.8600000     -0.3069000    
 C    6.101400     -0.4542000       1.694300    
 C    4.085800     -0.6428000      0.3820000    
 C    7.353600       1.074000     -0.3274000    
 C    7.606100     -0.2082000       1.627200    
 C    3.576400      -1.065000     -0.9883000    
 C    1.228700     -0.2783000      -1.243000    
 C  -0.1946000     -0.7865000      -1.155000    
 C   -2.343000      0.1833000     -0.8391000    
 C   -3.037300       1.357300     -0.5470000    
 C   -2.898300      -1.054400     -0.5144000    
 C   -4.147700      -1.118100      0.1026000    
 C   -4.286800       1.293500      6.9799997E-02
 C   -4.841900      5.5799998E-02  0.3947000    
 C   -3.904000      -3.483800      8.1000000E-02
 C   -4.316100       3.670100     -1.4600000E-02
 C   -6.081800      1.1800000E-02   2.423500    
 H    5.488900      0.8880000      -1.341600    
 H    5.368100       1.687800      0.2363000    
 H    5.632300      0.3139000       2.322900    
 H    5.924900      -1.430200       2.160600    
 H    3.850200      -1.455400       1.082800    
 H    3.549500      0.2417000      0.7507000    
 H    7.585400       2.054800     -0.7549000    
 H    7.861700      0.3176000     -0.9380000    
 H    8.123100      -1.008400       1.083800    
 H    8.023100     -0.1720000       2.638700    
 H    4.040500      -2.008000      -1.298600    
 H    3.790000     -0.3175000      -1.757700    
 H    1.820500      -2.210100     -0.7418000    
 H  -0.3172000      -1.169000     -0.1327000    
 H  -0.3165000      -1.600800      -1.878400    
 H   -2.549400       2.285400     -0.8254000    
 H   -2.351200      -1.947700     -0.7878000    
 H   -3.770200      -3.581800      -1.001700    
 H   -2.953600      -3.504000      0.6255000    
 H   -4.473600      -4.359800      0.4088000    
 H   -3.379100       3.816000      0.5336000    
 H   -4.182100       3.747700      -1.098900    
 H   -4.986600       4.483800      0.2812000    
 H   -5.541400     -0.8502000       2.827100    
 H   -5.643900      0.9404000       2.803100    
 H   -7.122900     -4.3400001E-02   2.753100    


%chk=000047730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047730

0 1
O 8.401054 -0.170265 -0.576304
O -0.654493 -0.061581 0.700834
O 2.166990 -1.199931 2.693696
O -5.171122 -1.941027 1.552260
O -4.541298 1.308964 -1.882109
O -6.147271 -0.490362 -0.516082
N 5.531186 0.214143 -0.306786
N 1.930754 0.311648 0.919745
C 6.335959 -0.399587 0.784842
C 6.150821 -0.086945 -1.624204
C 4.098259 -0.152051 -0.244076
C 7.780650 0.121383 0.727589
C 7.597121 0.434758 -1.650933
C 3.353003 0.669626 0.838153
C 1.455926 -0.599453 1.829755
C -0.052165 -0.873757 1.763060
C -2.043411 -0.192579 0.468226
C -2.553716 0.625643 -0.560193
C -2.871172 -1.069531 1.199818
C -4.255297 -1.122251 0.882717
C -3.929728 0.552825 -0.871733
C -4.800675 -0.322305 -0.158553
C -4.650603 -2.839331 2.584795
C -3.679148 2.159167 -2.706107
C -7.029164 0.663463 -0.242965
H 5.894350 -0.141462 1.764140
H 6.343021 -1.515203 0.699177
H 6.157665 -1.185785 -1.836245
H 5.566011 0.412498 -2.420064
H 3.643778 0.063086 -1.230546
H 3.943286 -1.239635 -0.039811
H 8.415229 -0.382977 1.474741
H 7.787432 1.218043 0.908139
H 7.593472 1.540735 -1.538333
H 8.103840 0.158024 -2.590364
H 3.455886 1.745554 0.611484
H 3.793066 0.478946 1.831730
H 1.247566 0.714821 0.272562
H -0.495051 -0.626819 2.747946
H -0.199829 -1.953904 1.565701
H -1.869448 1.289320 -1.093044
H -2.465251 -1.691156 1.999618
H -3.905714 -3.545398 2.168601
H -4.201417 -2.276012 3.426585
H -5.528237 -3.397231 2.942360
H -3.197562 2.952741 -2.101969
H -2.903649 1.560827 -3.221759
H -4.351727 2.614321 -3.447747
H -7.038426 0.896596 0.839296
H -6.708597 1.546915 -0.823335
H -8.031654 0.341392 -0.563709


