%chk=000117054.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117054

0 1
 O    3.603200     -0.2956000      0.1496000    
 O   -3.599000     -0.3009000     -0.1206000    
 O    2.552200       1.755600      4.5100000E-02
 O   -2.549900       1.753500     -7.8199998E-02
 C    5.996300     -0.6872000      0.2223000    
 C   -5.988500     -0.6969000     -0.2590000    
 C  -1.9999999E-04  0.5552000      5.7700001E-02
 C    4.877500      0.3560000      0.1551000    
 C   -4.871600      0.3489000     -0.2026000    
 C    1.261300     -0.3050000      9.5200002E-02
 C   -1.260500     -0.3065000      1.7200001E-02
 C    7.359100     -2.6000000E-03  0.3022000    
 C    5.947100      -1.635400     -0.9777000    
 C   -7.346700     -1.7600000E-02 -0.4200000    
 C   -5.982900      -1.586000      0.9864000    
 C    2.519000      0.5337000      9.1499999E-02
 C   -2.516500      0.5307000     -6.4300001E-02
 H    5.852700      -1.294200       1.125300    
 H   -5.813700      -1.346700      -1.126000    
 H   2.6300000E-02   1.213000     -0.8206000    
 H  -2.7400000E-02   1.215100      0.9343000    
 H    4.976600      0.9621000     -0.7540000    
 H    4.933900       1.016500       1.028900    
 H   -4.896200      0.9665000      -1.108800    
 H   -5.002000      0.9981000      0.6721000    
 H    1.288800     -0.9610000     -0.7823000    
 H    1.261200     -0.9202000       1.001900    
 H   -1.317000     -0.9225000      0.9216000    
 H   -1.231500     -0.9616000     -0.8607000    
 H    7.550300      0.6088000     -0.5863000    
 H    8.162200     -0.7426000      0.3833000    
 H    7.415900      0.6488000       1.180700    
 H    6.054700      -1.087900      -1.920200    
 H    5.000400      -2.184300      -1.010600    
 H    6.754400      -2.373500     -0.9214000    
 H   -7.568500      0.6358000      0.4307000    
 H   -8.147300     -0.7612000     -0.4936000    
 H   -7.371700      0.5906000      -1.330300    
 H   -6.123200     -0.9937000       1.897000    
 H   -5.038600      -2.132100       1.079200    
 H   -6.788500      -2.326400      0.9372000    


%chk=000117054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117054

0 1
O 3.660341 -0.309216 0.157930
O -3.663927 -0.311163 -0.167409
O 2.635600 1.782230 0.068762
O -2.636984 1.781003 -0.147359
C 6.068412 -0.734600 0.213771
C -6.072808 -0.734834 -0.197861
C -0.001425 0.584637 -0.017335
C 4.994490 0.361750 0.214419
C -4.997641 0.359440 -0.237629
C 1.266690 -0.287290 0.037273
C -1.269411 -0.287925 -0.064420
C 7.455597 -0.084409 0.434946
C 6.033254 -1.560886 -1.091679
C -7.460633 -0.089785 -0.429947
C -6.030748 -1.521926 1.131415
C 2.546851 0.533714 0.086823
C -2.549330 0.532419 -0.128570
H 5.855124 -1.411571 1.065445
H -5.865535 -1.437251 -1.030207
H 0.033865 1.248807 -0.898617
H -0.036842 1.256127 0.858494
H 5.088738 1.032779 -0.660841
H 5.031552 0.979941 1.130804
H -5.038942 0.949183 -1.172399
H -5.086522 1.057145 0.617060
H 1.327835 -0.958368 -0.842524
H 1.256995 -0.955563 0.920857
H -1.333347 -0.949132 0.822445
H -1.256895 -0.966046 -0.940615
H 7.696907 0.621197 -0.383194
H 8.245389 -0.856693 0.454310
H 7.500569 0.471621 1.390058
H 6.265688 -0.921378 -1.965396
H 5.037114 -2.009388 -1.248048
H 6.780368 -2.374848 -1.060219
H -7.696938 0.639099 0.369016
H -8.251124 -0.861575 -0.422974
H -7.510432 0.438764 -1.400302
H -6.256993 -0.856337 1.987089
H -5.034194 -1.966919 1.295078
H -6.779012 -2.335450 1.128854


