%chk=000089612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089612

0 1
 O   -1.274100       2.425100     -0.2399000    
 O   0.6152000       1.608200      -1.465400    
 C   -3.164600       1.093100      0.5006000    
 C    2.554200      0.3328000     -0.7497000    
 C   -4.211200      7.8400001E-02 -5.9000002E-03
 C    3.758100      0.3863000      0.2145000    
 C   -2.509700      0.7075000       1.846100    
 C    1.806000      -1.019200     -0.7525000    
 C   -2.125900       1.347600     -0.6040000    
 C    1.618700       1.518700     -0.4626000    
 C   -3.638800      -1.320900     -0.2543000    
 C    4.829700     -0.6675000     -8.3400004E-02
 C   -4.681500      -2.315200     -0.7726000    
 C    6.011300     -0.6170000      0.8890000    
 C   -3.472800      0.5629000       3.016400    
 C    1.217300      -1.435700      0.5884000    
 C  -0.2846000       2.691900      -1.233800    
 C   -4.113900      -3.699700      -1.045700    
 C    7.066500      -1.677300      0.6147000    
 H   -3.689500       2.043600      0.6721000    
 H    2.937200      0.4670000      -1.771300    
 H   -5.033800      9.9999998E-03  0.7156000    
 H   -4.657500      0.4549000     -0.9353000    
 H    3.415300      0.2802000       1.250600    
 H    4.225200       1.377500      0.1470000    
 H   -1.782700       1.483700       2.116700    
 H   -1.931200     -0.2167000       1.738800    
 H   0.9909000     -0.9753000      -1.485700    
 H    2.473100      -1.812200      -1.108400    
 H   -2.631400       1.596500      -1.544600    
 H   -1.514700      0.4527000     -0.7606000    
 H    2.200700       2.448600     -0.4716000    
 H    1.154200       1.423600      0.5253000    
 H   -3.214200      -1.722600      0.6723000    
 H   -2.825100      -1.273600     -0.9857000    
 H    4.393200      -1.670600     -2.8400000E-02
 H    5.196200     -0.5333000      -1.108400    
 H   -5.125200      -1.927300      -1.697300    
 H   -5.494300      -2.402700     -4.1900001E-02
 H    5.643600     -0.7420000       1.914600    
 H    6.481000      0.3725000      0.8381000    
 H   -2.916300      0.3893000       3.943000    
 H   -4.071700       1.469900       3.144500    
 H   -4.150600     -0.2834000       2.872500    
 H   0.6963000      -2.393100      0.4827000    
 H    1.994600      -1.566500       1.346500    
 H   0.4907000     -0.7062000      0.9554000    
 H  -0.7863000       2.919400      -2.181100    
 H   0.2671000       3.592400     -0.9410000    
 H   -3.323800      -3.655500      -1.801900    
 H   -3.692800      -4.135300     -0.1341000    
 H   -4.899700      -4.367600      -1.411800    
 H    6.640600      -2.682300      0.6966000    
 H    7.483200      -1.561700     -0.3909000    
 H    7.885800      -1.594200       1.335500    


%chk=000089612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089612

0 1
O -1.256495 2.387851 -0.344287
O 0.733084 1.709492 -1.569510
C -3.090539 1.004276 0.474926
C 2.635409 0.430513 -0.725865
C -4.234460 0.038088 0.050738
C 3.799198 0.438595 0.303247
C -2.329553 0.563555 1.754803
C 1.877242 -0.925863 -0.814777
C -2.114282 1.232381 -0.692304
C 1.677688 1.599020 -0.435110
C -3.804554 -1.402742 -0.317375
C 4.884446 -0.628784 0.037730
C -5.006052 -2.293429 -0.711308
C 6.089531 -0.515963 0.999998
C -3.213598 0.484685 3.017926
C 1.298015 -1.451279 0.518763
C -0.290241 2.719130 -1.375307
C -4.593135 -3.733828 -1.083211
C 7.164486 -1.594813 0.746349
H -3.556896 1.989711 0.689574
H 3.071246 0.624044 -1.729381
H -4.981058 -0.013094 0.868242
H -4.766527 0.481664 -0.817457
H 3.398678 0.305098 1.329577
H 4.278546 1.440517 0.288985
H -1.512211 1.290279 1.923482
H -1.846167 -0.419282 1.578487
H 1.057546 -0.800621 -1.547375
H 2.559017 -1.689348 -1.237400
H -2.669051 1.463442 -1.629179
H -1.474832 0.345210 -0.872384
H 2.244499 2.552036 -0.345354
H 1.111793 1.440805 0.504960
H -3.276037 -1.870785 0.537762
H -3.082240 -1.384201 -1.158806
H 4.447779 -1.643754 0.128109
H 5.242649 -0.535863 -1.009210
H -5.539043 -1.827389 -1.565491
H -5.730049 -2.318466 0.128939
H 5.728136 -0.590818 2.046295
H 6.543172 0.491520 0.900183
H -2.605260 0.255655 3.912405
H -3.729182 1.446971 3.199891
H -3.987118 -0.300643 2.933353
H 0.743640 -2.393734 0.353425
H 2.092197 -1.659651 1.259391
H 0.594035 -0.730252 0.973925
H -0.775370 2.810966 -2.367342
H 0.146053 3.681527 -1.042361
H -3.891164 -3.735826 -1.938537
H -4.087369 -4.232832 -0.234953
H -5.468789 -4.348068 -1.363184
H 6.743810 -2.610418 0.872597
H 7.562074 -1.523400 -0.283763
H 8.015307 -1.492184 1.444869


