%chk=000012979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012979

0 1
 O   0.5772000      0.3734000      0.5685000    
 O  -0.5925000     -0.4943000      0.4936000    
 O    1.629100      -1.627200      9.1799997E-02
 O   -1.643300       1.543600      0.1944000    
 C    6.712000     -0.3821000     -0.2404000    
 C   -6.706300      0.4202000     -0.2945000    
 C    5.454200      0.4036000      0.1458000    
 C   -5.452800     -0.4384000     -0.1018000    
 C    7.992900      0.4516000     -0.1457000    
 C   -8.002900     -0.3923000     -0.2461000    
 C    4.169400     -0.4304000      7.3500000E-02
 C   -4.153800      0.3747000     -7.1500003E-02
 C    9.253000     -0.3257000     -0.5339000    
 C   -9.231100      0.5106000     -0.3644000    
 C    2.924200      0.3998000      0.3913000    
 C   -2.927000     -0.5008000      0.1841000    
 C    10.52330      0.5088000     -0.4759000    
 C   -10.52050     -0.2903000     -0.2757000    
 C    1.660900     -0.4269000      0.3314000    
 C   -1.666100      0.3220000      0.2753000    
 H    6.600900     -0.7592000      -1.264300    
 H    6.803700      -1.258500      0.4129000    
 H   -6.640100      0.9464000      -1.254600    
 H   -6.734000       1.189000      0.4878000    
 H    5.570800      0.7954000       1.163700    
 H    5.358600       1.271100     -0.5190000    
 H   -5.396500      -1.180900     -0.9073000    
 H   -5.545000     -0.9972000      0.8379000    
 H    8.104200      0.8280000      0.8787000    
 H    7.898000       1.329600     -0.7966000    
 H   -8.003900      -1.130100      -1.057500    
 H   -8.048500     -0.9497000      0.6974000    
 H    4.072600     -0.8645000     -0.9296000    
 H    4.243200      -1.272100      0.7733000    
 H   -4.035800      0.9099000      -1.022000    
 H   -4.228100       1.140100      0.7115000    
 H    9.365400      -1.190000      0.1315000    
 H    9.137100     -0.7204000      -1.550400    
 H   -9.220800       1.261400      0.4343000    
 H   -9.205400       1.050400      -1.318000    
 H    3.008100      0.8220000       1.398800    
 H    2.833300       1.217300     -0.3327000    
 H   -3.048700      -1.043300       1.128200    
 H   -2.811500      -1.222500     -0.6319000    
 H    10.46170       1.361100      -1.159800    
 H    10.69240      0.8914000      0.5356000    
 H    11.38940     -9.6100003E-02 -0.7615000    
 H   -10.57750      -1.031800      -1.079000    
 H   -11.38590      0.3738000     -0.3644000    
 H   -10.59170     -0.8150000      0.6824000    


%chk=000012979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012979

0 1
O 0.704927 0.590040 1.345877
O -0.668681 -0.081075 1.426274
O 1.177347 -0.951931 -0.386538
O -1.236113 1.192814 -0.487213
C 6.598806 -0.398361 -0.159111
C -6.621857 0.403158 -0.214862
C 5.386670 0.546189 0.007843
C -5.365784 -0.423405 0.142313
C 7.938755 0.352757 -0.327981
C -7.915580 -0.441748 -0.245899
C 4.053512 -0.218709 0.158097
C -4.074019 0.423314 0.151932
C 9.151097 -0.593074 -0.488262
C -9.174781 0.382347 -0.599306
C 2.851738 0.740105 0.342928
C -2.836122 -0.424424 0.528847
C 10.486307 0.163141 -0.659707
C -10.461926 -0.469801 -0.633378
C 1.527933 -0.008905 0.334041
C -1.538372 0.353488 0.369996
H 6.432934 -1.054186 -1.039049
H 6.663942 -1.070477 0.721858
H -6.474493 0.884779 -1.203858
H -6.740048 1.227969 0.518450
H 5.547625 1.195187 0.893793
H 5.326519 1.223399 -0.869663
H -5.255254 -1.253849 -0.586064
H -5.509745 -0.896532 1.136073
H 8.104659 1.012852 0.549242
H 7.877840 1.020865 -1.212554
H -7.799644 -1.264821 -0.981853
H -8.062578 -0.926917 0.741917
H 3.874203 -0.849244 -0.733122
H 4.113492 -0.905053 1.025532
H -3.909056 0.878129 -0.842923
H -4.181458 1.260453 0.869252
H 9.212208 -1.259283 0.396471
H 8.983747 -1.253670 -1.363468
H -9.291834 1.202632 0.138148
H -9.026240 0.869634 -1.584596
H 2.944341 1.331965 1.270278
H 2.812842 1.460684 -0.498499
H -2.913481 -0.821229 1.556414
H -2.759297 -1.300575 -0.146516
H 10.461175 0.813315 -1.554682
H 10.692404 0.807476 0.215938
H 11.336299 -0.534666 -0.772863
H -10.383753 -1.275577 -1.387559
H -11.347318 0.142837 -0.884473
H -10.647989 -0.946513 0.347689


