%chk=000031622.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031622

0 1
 O  -0.3655000      -1.043500     -0.1165000    
 O    1.195300      -2.241700       1.093900    
 O   -3.355000     -0.4114000      0.6556000    
 C    2.205800      0.8550000      0.1932000    
 C    3.186900     -0.2634000      0.2841000    
 C    1.871100     -0.4912000     -0.3792000    
 C    1.556000       1.284100       1.465700    
 C    2.423800       1.973700     -0.7706000    
 C    4.394000     -0.2488000     -0.5641000    
 C   0.8940000      -1.366500      0.2937000    
 C    5.576300      0.3419000     -0.3047000    
 C    6.716300      0.2628000      -1.281500    
 C    5.866000       1.116100      0.9500000    
 C   -1.418800      -1.820900      0.4619000    
 C   -2.745100      -1.384600     -5.4699998E-02
 C   -3.491500      -1.775000      -1.125700    
 C   -4.531600     -0.1687000      2.0300001E-02
 C   -4.662700     -0.9819000      -1.081200    
 C   -5.388400      0.8680000      0.6126000    
 C   -5.091300       2.209200      5.5500001E-02
 C   -4.835700       3.286900     -0.4081000    
 H    3.351300     -0.7218000       1.254400    
 H    1.858400     -0.5790000      -1.462400    
 H    1.496500      0.4834000       2.210900    
 H    2.118800       2.105000       1.923600    
 H   0.5370000       1.639100       1.276500    
 H    3.151400       2.689400     -0.3726000    
 H    2.784200       1.636800      -1.748700    
 H    1.485900       2.512500     -0.9466000    
 H    4.304700     -0.7951000      -1.502100    
 H    7.010900       1.267500      -1.601900    
 H    7.581100     -0.2217000     -0.8164000    
 H    6.457500     -0.3093000      -2.178700    
 H    6.704700      0.6624000       1.488300    
 H    6.131300       2.149200      0.7025000    
 H    5.014300       1.150500       1.635600    
 H   -1.392600      -1.710700       1.552800    
 H   -1.262900      -2.878000      0.2150000    
 H   -3.237100      -2.532100      -1.853400    
 H   -5.496800      -1.002300      -1.768000    
 H   -5.257500      0.8890000       1.700900    
 H   -6.442300      0.6265000      0.4306000    
 H   -4.608600       4.242600     -0.8196000    


%chk=000031622-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031622

0 1
O -0.085181 -1.569824 -0.893963
O 0.654214 -1.209000 1.302935
O -2.836245 -0.883556 0.441185
C 1.751019 1.507836 -0.010392
C 2.902747 0.506016 0.184843
C 1.610620 0.052334 -0.569802
C 0.945385 1.918001 1.220865
C 1.870224 2.611178 -1.060903
C 4.201060 0.585690 -0.533886
C 0.720045 -0.937105 0.077837
C 5.423176 0.190634 -0.065365
C 6.668385 0.347899 -0.922857
C 5.671521 -0.422541 1.301572
C -1.151308 -2.494886 -0.370502
C -2.491045 -1.868888 -0.514228
C -3.531680 -2.002623 -1.421170
C -4.111468 -0.401722 0.095040
C -4.567494 -1.069514 -1.031076
C -4.679444 0.685334 0.967478
C -3.959510 1.974291 0.859539
C -3.361896 3.048834 0.777207
H 2.939518 0.095886 1.200833
H 1.665089 -0.038548 -1.658025
H 0.852541 1.092317 1.945255
H 1.439821 2.771374 1.722831
H -0.076950 2.233021 0.934933
H 2.452043 3.462721 -0.659354
H 2.365745 2.270937 -1.986626
H 0.865943 2.983044 -1.335969
H 4.164726 1.008429 -1.549323
H 7.420653 0.987964 -0.419150
H 7.155982 -0.632144 -1.098588
H 6.439639 0.797819 -1.904690
H 6.163088 -1.410332 1.198352
H 6.361205 0.211259 1.894395
H 4.752959 -0.566164 1.892293
H -0.913641 -2.722414 0.683806
H -1.079036 -3.398267 -0.994762
H -3.550873 -2.679433 -2.273221
H -5.521833 -0.907262 -1.528008
H -4.668471 0.357948 2.026082
H -5.739859 0.831305 0.690278
H -2.841312 3.986154 0.705201


