%chk=000076617.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076617

0 1
 O   -5.680200      -2.851800       1.634900    
 O   -7.887500      -1.216200      -2.269000    
 C    2.179900      0.6286000      0.4886000    
 C    3.506400      0.9399000     -0.2063000    
 C    1.021500       1.390000     -0.1575000    
 C    4.660300      0.1530000      0.4193000    
 C  -0.3099000       1.053700      0.5176000    
 C    5.980600      0.4410000     -0.2987000    
 C   -1.460100       1.844600     -0.1074000    
 C    7.167300     -0.3397000      0.2731000    
 C   -2.826100       1.536200      0.5080000    
 C    8.473000     -0.1088000     -0.4908000    
 C   -4.032600       2.298000     -5.7200000E-02
 C    9.625200     -0.9020000      0.1301000    
 C   -5.390900       1.920200      0.5519000    
 C    10.92260     -0.7038000     -0.6533000    
 C   -5.880900      0.5270000      0.2454000    
 C    12.06190      -1.515900     -5.8499999E-02
 C   -6.666800      0.2968000     -0.8838000    
 C   -5.549300     -0.5311000       1.091700    
 C   -6.003500      -1.819100      0.8089000    
 C   -7.121200     -0.9913000      -1.166600    
 C   -6.789600      -2.049200     -0.3202000    
 H    2.249300      0.8941000       1.550500    
 H    1.983200     -0.4493000      0.4370000    
 H    3.714200       2.014800     -0.1393000    
 H    3.428800      0.6912000      -1.271800    
 H   0.9647000       1.139800      -1.223800    
 H    1.208700       2.468400     -8.7700002E-02
 H    4.444300     -0.9210000      0.3683000    
 H    4.754700      0.4145000       1.480100    
 H  -0.2504000       1.281100       1.588700    
 H  -0.5094000     -2.0700000E-02  0.4250000    
 H    6.198400       1.514800     -0.2438000    
 H    5.872000      0.1944000      -1.362300    
 H   -1.502400       1.634900      -1.183400    
 H   -1.260100       2.918200     -3.5000001E-03
 H    6.929400      -1.410800      0.2610000    
 H    7.305700     -5.8600001E-02   1.324500    
 H   -2.998900      0.4603000      0.3895000    
 H   -2.775400       1.722600       1.588300    
 H    8.716700      0.9603000     -0.4868000    
 H    8.340300     -0.4071000      -1.537800    
 H   -3.868100       3.370500      0.1054000    
 H   -4.068900       2.148200      -1.143600    
 H    9.770900     -0.5871000       1.170500    
 H    9.368000      -1.968200      0.1482000    
 H   -5.352500       2.058400       1.640500    
 H   -6.142300       2.639400      0.1995000    
 H    11.19790      0.3572000     -0.6550000    
 H    10.77680      -1.003000      -1.697900    
 H    11.83110      -2.585900     -7.3899999E-02
 H    12.25480      -1.220500      0.9778000    
 H    12.98000      -1.358300     -0.6331000    
 H   -6.923100       1.121600      -1.544400    
 H   -4.939000     -0.3515000       1.973600    
 H   -7.143500      -3.053200     -0.5407000    
 H   -5.132000      -2.513100       2.363400    
 H   -8.018400     -0.3749000      -2.739100    


%chk=000076617-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076617

0 1
O -6.413637 -2.810364 1.840069
O -7.451305 -1.216393 -2.550828
C 2.161066 0.522844 0.378626
C 3.499669 0.808060 -0.339042
C 0.965770 1.298476 -0.219467
C 4.699253 0.056723 0.281185
C -0.374712 0.998815 0.488776
C 6.037426 0.333051 -0.440713
C -1.562469 1.809283 -0.077384
C 7.238771 -0.404300 0.192816
C -2.907329 1.482439 0.610177
C 8.577267 -0.132890 -0.530594
C -4.078154 2.342387 0.085740
C 9.779342 -0.863395 0.109576
C -5.449731 2.002648 0.738468
C 11.117982 -0.594170 -0.615302
C -5.971155 0.617813 0.373752
C 12.313566 -1.324635 0.033861
C -6.474228 0.372570 -0.928590
C -5.946870 -0.439875 1.313720
C -6.417454 -1.725702 0.943865
C -6.938651 -0.919375 -1.274482
C -6.916380 -1.981105 -0.347618
H 2.261179 0.779554 1.454300
H 1.948675 -0.566117 0.338361
H 3.701454 1.899724 -0.317449
H 3.407372 0.530910 -1.410176
H 0.872238 1.053888 -1.298379
H 1.173465 2.387929 -0.165240
H 4.494629 -1.034449 0.268001
H 4.794982 0.341137 1.350233
H -0.270789 1.212845 1.573426
H -0.598378 -0.085347 0.406505
H 6.236134 1.425484 -0.438189
H 5.946521 0.036979 -1.506921
H -1.653552 1.614804 -1.166677
H -1.347546 2.893802 0.027631
H 7.038577 -1.496398 0.194673
H 7.331238 -0.104517 1.257920
H -3.143290 0.409283 0.465415
H -2.805219 1.636224 1.705673
H 8.774761 0.959768 -0.537601
H 8.487318 -0.438436 -1.594266
H -3.854347 3.413271 0.269322
H -4.158740 2.221006 -1.013772
H 9.871843 -0.556257 1.172609
H 9.582686 -1.956146 0.118816
H -5.352016 2.087729 1.838299
H -6.188739 2.766205 0.424307
H 11.312143 0.497979 -0.626658
H 11.025657 -0.903799 -1.676521
H 12.157291 -2.420102 0.030643
H 12.446235 -1.009134 1.086147
H 13.257531 -1.116410 -0.502979
H -6.506437 1.189205 -1.662660
H -5.562600 -0.259394 2.326414
H -7.279945 -2.973332 -0.622752
H -6.053127 -2.534510 2.718984
H -7.429643 -0.414687 -3.129948


