%chk=000081684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081684

0 1
 O    3.646800      -1.080300     -0.9330000    
 O    2.772100      9.0400003E-02  0.8932000    
 C   -6.237000     -0.3246000     -0.3536000    
 C   -4.903000      2.5800001E-02  0.3076000    
 C   -7.415700      0.2585000      0.4290000    
 C   -3.722600     -0.5291000     -0.4913000    
 C   -8.747000     -6.5300003E-02 -0.2519000    
 C   -2.390900     -0.2066000      0.1883000    
 C   -9.962600      0.5141000      0.4783000    
 C   -1.208100     -0.7322000     -0.6267000    
 C   -11.32700      0.2039000     -0.1448000    
 C   0.1239000     -0.3802000      3.6400001E-02
 C   -12.49610      0.8592000      0.5908000    
 C    1.304900     -0.9330000     -0.7590000    
 C   -13.82420      0.5268000     -7.2099999E-02
 C    2.630900     -0.5589000     -0.1342000    
 C    4.923300     -0.7916000     -0.4447000    
 C    6.860600      0.6778000     -0.3670000    
 C    5.576600      0.3734000     -0.8476000    
 C    7.490600     -0.2116000      0.5357000    
 C    5.542900      -1.666400      0.4428000    
 C    6.818200      -1.379600      0.9307000    
 C    7.532700       1.846000     -0.7617000    
 C    8.774600      9.3000002E-02   1.016300    
 C    8.808100       2.132800     -0.2743000    
 C    9.427900       1.257900      0.6129000    
 H   -6.341200      -1.414400     -0.4190000    
 H   -6.250000      6.3699998E-02  -1.379300    
 H   -4.808000       1.115200      0.3917000    
 H   -4.882000     -0.3802000       1.326400    
 H   -7.417500     -0.1434000       1.449200    
 H   -7.302900       1.346300      0.5096000    
 H   -3.826300      -1.616000     -0.5960000    
 H   -3.733100     -0.1044000      -1.502500    
 H   -8.734200      0.3203000      -1.278900    
 H   -8.861600      -1.153900     -0.3243000    
 H   -2.372600     -0.6490000       1.191800    
 H   -2.296500      0.8792000      0.3119000    
 H   -9.959900      0.1466000       1.512400    
 H   -9.844500       1.603600      0.5382000    
 H   -1.237800     -0.3061000      -1.636900    
 H   -1.291300      -1.820800     -0.7321000    
 H   -11.47040     -0.8835000     -0.1637000    
 H   -11.32390      0.5400000      -1.189100    
 H   0.1480000     -0.7823000       1.057000    
 H   0.2145000      0.7097000      0.1251000    
 H   -12.36230       1.947000      0.6063000    
 H   -12.51600      0.5191000       1.632600    
 H    1.243200      -2.026100     -0.8032000    
 H    1.283800     -0.5313000      -1.778300    
 H   -14.00120     -0.5534000     -7.5900003E-02
 H   -13.84620      0.8828000      -1.107000    
 H   -14.64730       1.004000      0.4689000    
 H    5.078400       1.046800      -1.542900    
 H    5.038900      -2.575400      0.7594000    
 H    7.283400      -2.077800       1.623400    
 H    7.067500       2.544200      -1.454400    
 H    9.278100     -0.5764000       1.710800    
 H    9.317200       3.039600     -0.5878000    
 H    10.42080       1.481700      0.9921000    


%chk=000081684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081684

0 1
O 3.700113 0.052743 -0.347241
O 2.654214 -0.629927 1.655006
C -6.404578 0.058338 -0.378241
C -5.117858 0.031907 0.477163
C -7.700497 0.056884 0.463681
C -3.822454 0.032965 -0.365492
C -8.987007 0.077358 -0.392282
C -2.536466 -0.007799 0.490201
C -10.283589 0.074405 0.448870
C -1.241432 -0.002675 -0.352849
C -11.569863 0.092841 -0.407589
C 0.037272 -0.078403 0.509862
C -12.866911 0.087018 0.433670
C 1.318595 -0.050250 -0.346159
C -14.146244 0.105584 -0.430831
C 2.585691 -0.250086 0.468338
C 5.073866 -0.062408 0.036953
C 7.375437 0.302056 -0.723917
C 5.965034 0.366595 -0.948159
C 7.864046 -0.215957 0.539317
C 5.535400 -0.576540 1.292709
C 6.911500 -0.644461 1.519640
C 8.323833 0.733714 -1.711449
C 9.278700 -0.282260 0.764982
C 9.695461 0.657001 -1.462130
C 10.178239 0.144947 -0.214076
H -6.409602 -0.818890 -1.058830
H -6.392794 0.956702 -1.030621
H -5.112721 0.908350 1.158593
H -5.129856 -0.867044 1.128590
H -7.710605 -0.839756 1.118406
H -7.697802 0.935805 1.142041
H -3.832767 -0.839087 -1.052647
H -3.806169 0.936340 -1.010827
H -8.977386 0.974135 -1.046881
H -8.989169 -0.801426 -1.070883
H -2.551720 -0.913826 1.131242
H -2.527764 0.860787 1.181225
H -10.292875 -0.821949 1.104099
H -10.282403 0.953709 1.126838
H -1.217101 0.913748 -0.979264
H -1.262120 -0.860874 -1.057295
H -11.571544 -0.785556 -1.086776
H -11.563137 0.990046 -1.061709
H 0.026054 -1.000817 1.120794
H 0.055326 0.764727 1.227741
H -12.864192 0.964572 1.112219
H -12.872623 -0.809749 1.086635
H 1.288195 -0.852137 -1.112487
H 1.409683 0.896623 -0.910580
H -14.186102 -0.776913 -1.097181
H -14.178978 1.008436 -1.069745
H -15.059045 0.099656 0.193105
H 5.570620 0.751036 -1.894340
H 4.819869 -0.899600 2.048506
H 7.276553 -1.036253 2.476359
H 7.954995 1.125967 -2.666649
H 9.644895 -0.674947 1.721179
H 10.411462 0.989121 -2.221947
H 11.257322 0.091071 -0.033288


