%chk=000016574.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016574

0 1
 O  -0.1075000      0.6865000      -1.175800    
 O   -2.690300     -0.7614000     -0.7038000    
 O  -0.8787000      -2.339500      0.5871000    
 O  -0.2718000       3.281100     -0.1229000    
 O    1.872900      -2.937200      -1.259700    
 O   -4.103100       1.065700     -0.6559000    
 O   -2.135600      -1.916600       2.478900    
 O   0.1965000       4.362300       1.864300    
 O    5.569800     -0.6131000      0.1962000    
 N    1.642000     -0.7359000     -0.5589000    
 N    2.221200      0.4074000     -6.8300001E-02
 N    3.736600      -1.837300     -0.5480000    
 C   -1.825300     -0.1270000      0.2380000    
 C  -0.5828000     -0.9642000      0.4565000    
 C   -1.255900       1.124100     -0.4167000    
 C   0.2279000     -0.6566000     -0.7907000    
 C  -0.7903000       2.170200      0.5873000    
 C    2.378500      -1.902100     -0.8174000    
 C   -3.796400     -4.6799999E-02  -1.062800    
 C   -1.672000      -2.687900       1.649800    
 C    3.487000      0.4273000      0.1688000    
 C   0.1930000       4.318300      0.6415000    
 C   -4.605500     -0.8316000      -2.050600    
 C    4.382600     -0.7327000     -5.8800001E-02
 C   -1.901000      -4.168900       1.661000    
 C   0.7084000       5.415900     -0.2393000    
 H   -2.388500      8.5100003E-02   1.152100    
 H  -4.5600001E-02 -0.6236000       1.352200    
 H   -1.900200       1.610300      -1.152500    
 H  -4.1299999E-02  -1.327600      -1.615100    
 H  -1.9000000E-03   1.770000       1.234500    
 H   -1.635800       2.494700       1.204900    
 H    4.291500      -2.669100     -0.7275000    
 H    3.973200       1.333500      0.5626000    
 H   -4.929700      -1.772600      -1.599300    
 H   -4.012200      -1.019100      -2.949000    
 H   -5.492100     -0.2562000      -2.331900    
 H   -2.529200      -4.432700       2.516500    
 H   -2.414600      -4.470000      0.7446000    
 H  -0.9453000      -4.690200       1.756200    
 H  -9.8899998E-02   5.791900     -0.8727000    
 H    1.535100       5.043200     -0.8492000    
 H    1.076000       6.237500      0.3820000    


%chk=000016574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016574

0 1
O 0.063998 0.246355 -1.338524
O -2.915192 -0.696679 0.292732
O -1.122098 -2.450606 -0.580493
O -0.259747 3.069871 -1.154663
O 3.358152 -0.736727 -1.268254
O -3.679957 1.270372 1.283252
O -1.944434 -3.542999 1.316010
O 1.905760 2.665227 -0.367377
O 4.522065 1.526154 2.670110
N 1.712758 -0.325913 0.371768
N 1.317698 0.202942 1.587330
N 3.947583 0.355881 0.720381
C -1.531774 -0.202921 0.447083
C -0.551421 -1.401142 0.287480
C -1.129559 0.817136 -0.658860
C 0.632319 -0.819797 -0.510504
C -0.819544 2.210915 -0.084036
C 3.038535 -0.259381 -0.153957
C -3.923915 0.141957 0.802069
C -1.845225 -3.471071 0.074554
C 2.225391 0.791849 2.342826
C 1.138440 3.165765 -1.220490
C -5.273466 -0.520328 0.668042
C 3.647447 0.950864 1.970769
C -2.438429 -4.409650 -0.947698
C 1.553699 3.937362 -2.449904
H -1.420212 0.239199 1.451330
H -0.277735 -1.835753 1.261362
H -1.908067 0.886663 -1.437905
H 1.083361 -1.544426 -1.202691
H -0.100769 2.152240 0.749954
H -1.751675 2.697011 0.242216
H 4.910888 0.438768 0.377656
H 1.892427 1.197315 3.300665
H -5.278268 -1.478616 1.215658
H -5.483985 -0.745660 -0.391904
H -6.053161 0.142658 1.068544
H -2.843163 -5.300296 -0.446293
H -3.249890 -3.893760 -1.491441
H -1.679601 -4.701874 -1.692204
H 0.827891 4.732288 -2.681202
H 1.584431 3.244630 -3.310867
H 2.559144 4.359277 -2.304323


