%chk=000080582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080582

0 1
 O    8.231400     -0.6902000      -1.370500    
 C   -3.849900     -4.1999999E-03 -0.3344000    
 C   -2.678300      0.8484000      0.1647000    
 C   -5.216500      0.5066000      0.1280000    
 C   -1.278300      0.3314000     -0.1893000    
 C   -6.374500     -0.3974000     -0.3109000    
 C  -0.1069000       1.147100      0.3670000    
 C   -7.743400      0.1262000      0.1359000    
 C    1.265900      0.5527000      3.5100002E-02
 C   -8.901900     -0.8004000     -0.2438000    
 C    2.423200       1.393300      0.5894000    
 C   -10.26940     -0.2621000      0.1786000    
 C    3.780100      0.7790000      0.3452000    
 C   -11.38750      -1.209500     -0.2289000    
 C    4.313300     -8.6599998E-02   1.287500    
 C    4.468300       1.090200     -0.8169000    
 C    5.566800     -0.6554000       1.061800    
 C    5.721800      0.5213000      -1.042600    
 C    6.271000     -0.3515000     -0.1031000    
 C    7.578800     -0.9428000     -0.3381000    
 C    8.186200      -1.896200      0.6852000    
 H   -3.825900     -4.2300001E-02  -1.430200    
 H   -3.714100      -1.033200      2.0700000E-02
 H   -2.787500       1.866500     -0.2298000    
 H   -2.747400      0.9318000       1.256800    
 H   -5.375000       1.517800     -0.2662000    
 H   -5.221500      0.5875000       1.222000    
 H   -1.189100      0.2818000      -1.281700    
 H   -1.189000     -0.7001000      0.1747000    
 H   -6.364900     -0.4949000      -1.403400    
 H   -6.220800      -1.402800      0.1000000    
 H  -0.2108000       1.223000       1.456400    
 H  -0.1651000       2.168600     -2.8300000E-02
 H   -7.738900      0.2641000       1.224300    
 H   -7.911000       1.115400     -0.3079000    
 H    1.369200      0.4598000      -1.053300    
 H    1.322800     -0.4651000      0.4416000    
 H   -8.740600      -1.783100      0.2165000    
 H   -8.894200     -0.9548000      -1.329900    
 H    2.393300       2.398500      0.1489000    
 H    2.286600       1.543900       1.668500    
 H   -10.29280     -0.1202000       1.265100    
 H   -10.44080      0.7180000     -0.2812000    
 H   -12.35670     -0.8074000      8.2199998E-02
 H   -11.40940      -1.346700      -1.314700    
 H   -11.26060      -2.190800      0.2395000    
 H    3.770900     -0.3306000       2.196500    
 H    4.047500       1.767000      -1.555000    
 H    5.956700      -1.329300       1.818200    
 H    6.250800      0.7733000      -1.957900    
 H    7.552400      -2.778900      0.8025000    
 H    8.332300      -1.383700       1.639500    
 H    9.165700      -2.228800      0.3270000    


%chk=000080582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080582

0 1
O 8.220449 -0.804951 -1.578410
C -3.837788 -0.063830 -0.182953
C -2.676332 0.837327 0.293627
C -5.231966 0.478963 0.203484
C -1.280665 0.271252 -0.052388
C -6.394513 -0.420975 -0.272618
C -0.119987 1.174647 0.422243
C -7.786848 0.108589 0.138765
C 1.272682 0.574476 0.129969
C -8.950899 -0.790350 -0.335605
C 2.436046 1.491480 0.607166
C -10.341865 -0.265077 0.087528
C 3.799806 0.871547 0.355834
C -11.499535 -1.169431 -0.387907
C 4.403069 0.026441 1.324216
C 4.485093 1.080889 -0.872195
C 5.645146 -0.592738 1.077977
C 5.724419 0.466113 -1.124298
C 6.323683 -0.382227 -0.152707
C 7.648196 -1.016175 -0.467355
C 8.298090 -1.922717 0.575016
H -3.782046 -0.182421 -1.285340
H -3.710447 -1.080502 0.244922
H -2.786714 1.846376 -0.156100
H -2.750626 0.977799 1.392537
H -5.360265 1.497445 -0.219630
H -5.286303 0.592754 1.306675
H -1.205285 0.122195 -1.149667
H -1.171536 -0.734353 0.405249
H -6.351975 -0.521670 -1.377457
H -6.256663 -1.443683 0.137194
H -0.219104 1.354411 1.513537
H -0.204138 2.168708 -0.064904
H -7.828173 0.207323 1.244000
H -7.925298 1.132043 -0.269008
H 1.381073 0.387231 -0.957335
H 1.363898 -0.412792 0.626306
H -8.810372 -1.815819 0.066358
H -8.916610 -0.883763 -1.441459
H 2.356650 2.464398 0.083902
H 2.303608 1.693899 1.688197
H -10.374024 -0.171008 1.192397
H -10.481998 0.759178 -0.314932
H -12.481848 -0.771083 -0.073450
H -11.507220 -1.255766 -1.491039
H -11.400431 -2.190609 0.026487
H 3.891914 -0.141093 2.280294
H 4.037901 1.736318 -1.629658
H 6.084818 -1.236063 1.847821
H 6.260450 0.624239 -2.066349
H 7.643490 -2.779448 0.821472
H 8.491872 -1.372612 1.514804
H 9.251421 -2.300688 0.176089


