%chk=000087532.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087532

0 1
 O    7.871000      -1.375100      4.4399999E-02
 C   -1.083700      0.4472000     -3.7700001E-02
 C   -2.366900     -0.3895000     -6.4300001E-02
 C   0.2283000     -0.3442000     -6.8400003E-02
 C   -3.644600      0.4516000     -7.1000000E-03
 C    1.472200      0.5470000     -0.1010000    
 C   -4.891400     -0.4365000     -2.7300000E-02
 C    2.782800     -0.2456000     -0.1395000    
 C   -6.202000      0.3522000      5.0700001E-02
 C    4.028900      0.6428000     -9.4800003E-02
 C   -7.450000     -0.5336000      4.4999998E-03
 C    5.308300     -0.2004000     -6.2399998E-02
 C   -8.726700      0.3091000      7.1599998E-02
 C    6.569100      0.6586000      2.2700001E-02
 C   -10.00700     -0.5288000      6.3900001E-02
 C    7.861300     -0.1452000      4.9899999E-02
 C   -11.27860      0.3052000      5.8899999E-02
 C    9.139700      0.6736000      0.1218000    
 C    10.38920     -0.1884000      0.1141000    
 H   -1.091500       1.075400      0.8622000    
 H   -1.099500       1.134000     -0.8935000    
 H   -2.373900      -1.000600     -0.9752000    
 H   -2.352800      -1.085600      0.7835000    
 H   0.2717000     -0.9988000      0.8106000    
 H   0.2307000     -0.9969000     -0.9499000    
 H   -3.670100       1.141600     -0.8588000    
 H   -3.642500       1.061000      0.9044000    
 H    1.469500       1.195900      0.7836000    
 H    1.425400       1.205300     -0.9771000    
 H   -4.849300      -1.140300      0.8133000    
 H   -4.890300      -1.038600     -0.9445000    
 H    2.806100     -0.8607000      -1.047400    
 H    2.803800     -0.9369000      0.7123000    
 H   -6.209600      0.9415000      0.9760000    
 H   -6.236800       1.067600     -0.7804000    
 H    4.042000       1.303600     -0.9697000    
 H    3.990700       1.282500      0.7951000    
 H   -7.448400      -1.126000     -0.9182000    
 H   -7.429900      -1.239200      0.8435000    
 H    5.276800     -0.8826000      0.7964000    
 H    5.354800     -0.8302000     -0.9596000    
 H   -8.745500       1.000700     -0.7800000    
 H   -8.709800      0.9253000      0.9792000    
 H    6.537900       1.268600      0.9326000    
 H    6.613700       1.330300     -0.8420000    
 H   -10.01560      -1.186400      0.9413000    
 H   -10.01000      -1.178300     -0.8197000    
 H   -11.32220      0.9452000     -0.8281000    
 H   -12.15970     -0.3439000      5.4900002E-02
 H   -11.32910      0.9441000      0.9462000    
 H    9.111600       1.270700       1.039200    
 H    9.159500       1.351500     -0.7378000    
 H    10.44270     -0.7951000     -0.7959000    
 H    10.40310     -0.8688000      0.9720000    
 H    11.28500      0.4385000      0.1607000    


%chk=000087532-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087532

0 1
O 7.988042 -1.392863 -0.310439
C -1.086907 0.493884 -0.023530
C -2.360169 -0.381477 0.005843
C 0.221754 -0.327736 0.000311
C -3.669589 0.439042 -0.014035
C 1.495872 0.546197 -0.033085
C -4.942298 -0.437153 0.013528
C 2.802830 -0.277573 -0.000072
C -6.252147 0.382780 -0.005923
C 4.078615 0.593706 -0.040435
C -7.524624 -0.493945 0.021634
C 5.378068 -0.239931 0.002956
C -8.834857 0.325379 0.000376
C 6.646301 0.633596 -0.035881
C -10.107117 -0.552421 0.029885
C 7.958746 -0.157539 -0.064471
C -11.411165 0.274253 0.006444
C 9.236756 0.639715 0.223125
C 10.534590 -0.130096 -0.076417
H -1.099565 1.187714 0.843221
H -1.102286 1.132285 -0.931861
H -2.348626 -1.073499 -0.862292
H -2.343293 -1.021951 0.912643
H 0.237920 -0.963906 0.910099
H 0.232772 -1.023849 -0.864475
H -3.686098 1.080453 -0.920214
H -3.681906 1.130076 0.854933
H 1.481899 1.246505 0.828496
H 1.482875 1.177638 -0.946327
H -4.925567 -1.078908 0.919449
H -4.930027 -1.127980 -0.855586
H 2.814431 -0.981694 -0.858001
H 2.817181 -0.905174 0.915467
H -6.264636 1.073680 0.863146
H -6.269035 1.024437 -0.911924
H 4.067092 1.214499 -0.961385
H 4.061988 1.304128 0.813102
H -7.511493 -1.185698 -0.846786
H -7.508269 -1.134756 0.928281
H 5.392355 -0.864118 0.918103
H 5.403198 -0.949387 -0.845548
H -8.853498 0.965097 -0.907008
H -8.849209 1.018126 0.868002
H 6.672243 1.339386 0.820284
H 6.633853 1.278426 -0.942442
H -10.087776 -1.190119 0.937403
H -10.091076 -1.245262 -0.836272
H -11.468979 0.896220 -0.906935
H -12.305325 -0.375766 0.029956
H -11.464215 0.954323 0.877717
H 9.200940 0.936413 1.293612
H 9.191999 1.593122 -0.342346
H 10.599576 -0.392674 -1.146696
H 10.566271 -1.075298 0.491264
H 11.419989 0.474094 0.190304


