%chk=000059867.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059867

0 1
 O    5.694300       2.367600     -0.2364000    
 O   -8.151400      0.4310000       1.118700    
 C    3.389900       1.590200      6.3100003E-02
 C    4.562600      -1.237000     -0.1222000    
 C    4.811700       1.270200     -0.4717000    
 C    5.391500      2.6699999E-02  0.1877000    
 C    2.512600      0.3279000      8.9500003E-02
 C    3.057200     -0.9779000      1.3900000E-02
 C    2.798100       2.680700     -0.8669000    
 C    3.442700       2.171200       1.496900    
 C    5.048100      -2.331100      0.8583000    
 C    4.856700      -1.710900      -1.563100    
 C    1.113200      0.4646000      0.2345000    
 C    2.172100      -2.079900      2.7300000E-02
 C   0.2645000     -0.6405000      0.2634000    
 C   0.7942000      -1.914800      0.1516000    
 C   -1.171000     -0.4571000      0.4078000    
 C   -1.704400     -0.4452000       1.826100    
 C   -2.034700     -0.3059000     -0.6337000    
 C   -3.488800     -0.1186000     -0.5308000    
 C   -4.321000      -1.228400     -0.5286000    
 C   -4.006500       1.165300     -0.4383000    
 C   -5.701100      -1.050700     -0.4320000    
 C   -5.386700       1.343100     -0.3415000    
 C   -6.234000      0.2349000     -0.3383000    
 C   -7.709700      0.4248000     -0.2356000    
 H    4.781700       1.127500      -1.557900    
 H    6.433500     -0.1070000     -0.1341000    
 H    5.458800      0.1853000       1.272300    
 H    2.623900       2.286500      -1.875100    
 H    1.846000       3.076100     -0.4981000    
 H    3.474700       3.538500     -0.9562000    
 H    2.440200       2.422900       1.863800    
 H    3.869300       1.459800       2.211900    
 H    4.031300       3.093700       1.543100    
 H    4.632700      -3.317300      0.6262000    
 H    6.139300      -2.433100      0.8223000    
 H    4.768700      -2.089700       1.890800    
 H    5.932500      -1.845400      -1.723100    
 H    4.374600      -2.671800      -1.778300    
 H    4.492800     -0.9979000      -2.311100    
 H   0.6736000       1.454800      0.3365000    
 H    2.549700      -3.095100     -6.6399999E-02
 H    5.955000       2.359500      0.6999000    
 H   0.1537000      -2.793200      0.1622000    
 H   -1.232300      0.3634000       2.395800    
 H   -1.466800      -1.392900       2.323000    
 H   -2.784600     -0.3041000       1.909500    
 H   -1.652900     -0.3168000      -1.652800    
 H   -3.918300      -2.235400     -0.6006000    
 H   -3.356800       2.036700     -0.4395000    
 H   -6.350800      -1.922100     -0.4286000    
 H   -5.789700       2.349600     -0.2674000    
 H   -8.019600       1.367000     -0.7004000    
 H   -8.242000     -0.3746000     -0.7633000    
 H   -7.593700     -0.1805000       1.628800    


%chk=000059867-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059867

0 1
O 5.323583 2.685816 -0.539505
O -8.070072 2.154306 0.259248
C 3.127106 1.565138 -0.026422
C 4.741401 -1.109091 -0.051909
C 4.581790 1.407437 -0.575090
C 5.365205 0.301435 0.141439
C 2.465406 0.170451 0.099874
C 3.209695 -1.049855 0.132665
C 2.356384 2.484062 -1.017144
C 3.136191 2.245394 1.376692
C 5.407156 -2.065205 0.978830
C 5.054353 -1.632175 -1.488762
C 1.056315 0.115603 0.242661
C 2.490041 -2.262927 0.298760
C 0.333464 -1.095007 0.400248
C 1.092671 -2.297189 0.440485
C -1.155653 -1.125674 0.528193
C -1.743862 -2.245808 1.375571
C -1.915473 -0.161211 -0.095981
C -3.376675 0.033180 -0.140726
C -4.350423 -0.996071 0.027008
C -3.863098 1.347558 -0.423515
C -5.730289 -0.711595 -0.050594
C -5.238275 1.630077 -0.497966
C -6.197382 0.599638 -0.310714
C -7.684971 0.897952 -0.410824
H 4.526614 1.190646 -1.657267
H 6.404273 0.296716 -0.238953
H 5.417522 0.531249 1.226431
H 2.160637 1.963617 -1.972464
H 1.388263 2.823256 -0.607146
H 2.968683 3.379312 -1.226071
H 2.110954 2.279022 1.785000
H 3.757891 1.693899 2.105724
H 3.500016 3.287422 1.305501
H 5.136733 -3.121651 0.804450
H 6.508246 -1.990361 0.900079
H 5.115407 -1.802569 2.012009
H 6.147616 -1.714264 -1.638634
H 4.609010 -2.630896 -1.647544
H 4.647788 -0.960559 -2.265645
H 0.499305 1.058399 0.259034
H 3.038894 -3.211150 0.317880
H 5.550102 2.885117 0.404809
H 0.587573 -3.262353 0.554829
H -1.032324 -2.554615 2.160515
H -1.980667 -3.145930 0.773263
H -2.676309 -1.922493 1.867908
H -1.362697 0.604988 -0.658722
H -4.034288 -2.030590 0.179938
H -3.137610 2.156283 -0.577741
H -6.454030 -1.526286 0.081059
H -5.585599 2.648448 -0.704799
H -7.991029 1.065989 -1.458861
H -8.272109 0.041026 -0.017225
H -7.738852 2.126690 1.193022


