%chk=000005865.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005865

0 1
 O    3.095300     -0.1765000      -1.944800    
 O  -0.5935000       2.564100      0.6946000    
 O    4.339400       1.649300      0.1860000    
 O    6.778800      0.5538000     -0.4633000    
 O   -6.243000      3.9600000E-02  -1.516100    
 C    1.853300      0.1546000      0.1711000    
 C   0.9628000      -1.075300     -0.1324000    
 C  -0.4228000     -0.9922000      0.5260000    
 C   -1.163700      0.2792000     -4.1999999E-03
 C    3.161600     -0.2955000     -0.5270000    
 C    1.862400      -2.259600      0.2131000    
 C    1.161900       1.389400     -0.4164000    
 C    3.278900      -1.796400     -0.1832000    
 C   -2.620600      0.4151000      0.5653000    
 C   -1.244000      -2.261200      0.2532000    
 C  -0.2406000       1.510300      0.1688000    
 C    2.096100      0.3819000       1.689100    
 C   -2.649100      -2.157900      0.8354000    
 C   -3.340000     -0.9194000      0.3215000    
 C    4.395000      0.4646000     -0.1403000    
 C   -2.643300      0.7134000       2.081500    
 C   -3.352000       1.560400     -0.1237000    
 C   -4.496800      -1.032500     -0.3506000    
 C    5.696900     -0.3070000     -0.1765000    
 C   -4.502400       1.452000     -0.7959000    
 C   -5.170400      0.1459000     -0.9312000    
 H   0.7912000      -1.125800      -1.220200    
 H  -0.2971000     -0.9170000       1.611400    
 H   -1.261600      0.1715000      -1.097400    
 H    1.575100      -3.163700     -0.3336000    
 H    1.822100      -2.493900       1.282900    
 H    1.046100       1.330600      -1.504100    
 H    1.723100       2.303400     -0.1944000    
 H    3.940500      -2.002100      0.6648000    
 H    3.632500      -2.383800      -1.038600    
 H  -0.7462000      -3.134700      0.6902000    
 H   -1.306800      -2.440400     -0.8283000    
 H    2.650700     -0.4397000       2.153000    
 H    2.659200       1.301500       1.876300    
 H    1.162700      0.4930000       2.248700    
 H   -2.604600      -2.132100       1.930100    
 H   -3.206700      -3.065700      0.5744000    
 H   -2.052400     -2.4000001E-03   2.660900    
 H   -2.255600       1.710400       2.315200    
 H   -3.667500      0.6757000       2.474900    
 H   -2.927800       2.557900     -4.5800000E-02
 H    3.028400      0.7664000      -2.171100    
 H   -4.973200      -1.994000     -0.5108000    
 H    5.675500      -1.053400     -0.9741000    
 H    5.871100     -0.7960000      0.7856000    
 H   -4.975500       2.316700      -1.246700    
 H    6.867400       1.170600      0.2833000    


%chk=000005865-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005865

0 1
O 2.883990 -0.396819 -2.215384
O -0.468106 2.503162 0.739047
O 4.602789 1.421494 -1.263176
O 6.350892 1.206111 0.762447
O -6.288461 0.301995 -1.462171
C 1.887638 0.027083 0.040767
C 0.963970 -1.207843 -0.201668
C -0.400195 -1.086830 0.506046
C -1.120509 0.225776 0.009141
C 3.172860 -0.463019 -0.773090
C 1.872618 -2.420168 0.111459
C 1.197097 1.284307 -0.541782
C 3.287571 -1.971791 -0.391297
C -2.564306 0.419180 0.637803
C -1.291159 -2.320766 0.235014
C -0.172772 1.441614 0.127204
C 2.215715 0.261035 1.538281
C -2.704810 -2.159936 0.851157
C -3.346918 -0.873227 0.372791
C 4.399005 0.416406 -0.513333
C -2.495388 0.672304 2.186625
C -3.236460 1.637741 0.021593
C -4.539333 -0.880580 -0.298729
C 5.422016 0.115740 0.576751
C -4.425287 1.603442 -0.644770
C -5.170561 0.339571 -0.847431
H 0.769903 -1.226663 -1.295569
H -0.242203 -1.013915 1.601422
H -1.270962 0.081879 -1.085828
H 1.535604 -3.337396 -0.399522
H 1.886901 -2.634839 1.196887
H 1.059785 1.137908 -1.631026
H 1.775332 2.208798 -0.371014
H 4.056624 -2.146602 0.380847
H 3.594852 -2.519704 -1.297271
H -0.807541 -3.225648 0.649421
H -1.384096 -2.470627 -0.860099
H 2.706356 -0.610783 2.006122
H 2.871610 1.141272 1.666346
H 1.300298 0.471959 2.118422
H -2.612443 -2.157858 1.956450
H -3.338478 -3.023720 0.581966
H -1.955897 -0.134994 2.712246
H -1.983908 1.626113 2.390413
H -3.518102 0.723291 2.598949
H -2.717937 2.589370 0.185355
H 3.226040 0.484037 -2.538007
H -5.082159 -1.818668 -0.471383
H 5.959292 -0.808608 0.259681
H 4.933310 -0.103487 1.542358
H -4.884308 2.513616 -1.048132
H 6.261029 1.812388 -0.025725


