%chk=000123947.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123947

0 1
 O   -5.085500      0.3212000      0.5595000    
 O   -5.958100      -2.097900     -0.2186000    
 O    5.976400     -0.9851000      -1.231700    
 C   -1.858300      4.9000001E-03  0.1635000    
 C  -0.8898000       1.074800     -0.3875000    
 C   0.4519000       1.090000      0.3460000    
 C    1.127900     -0.3145000      0.1790000    
 C   -3.084400      0.2963000     -0.7303000    
 C   -1.214300      -1.371700     -5.3300001E-02
 C   -1.738100       2.341000     -0.4125000    
 C   0.1791000      -1.462400      0.5953000    
 C    2.478900     -0.3187000      0.9436000    
 C   -3.135500       1.836500     -0.8158000    
 C    1.376200       2.217300     -0.1542000    
 C   -2.208800      0.1845000       1.663900    
 C    2.752900       2.166400      0.5153000    
 C    3.335900      0.7881000      0.3543000    
 C    3.237500      -1.654400      0.9754000    
 C   -4.368300     -0.2902000     -0.2311000    
 C    3.971900      -1.939600     -0.3230000    
 C    4.468200      0.5802000     -0.3347000    
 C   -4.724600      -1.665900     -0.7529000    
 C    4.909100     -0.8008000     -0.6503000    
 H  -0.6690000      0.8351000      -1.441400    
 H   0.2832000       1.274300       1.414200    
 H    1.337500     -0.4574000     -0.8923000    
 H   -2.913600     -8.3200000E-02  -1.747300    
 H   -1.113900      -1.575500      -1.127100    
 H   -1.846300      -2.166700      0.3572000    
 H   -1.359400       3.077200      -1.128700    
 H   -1.771600       2.822000      0.5713000    
 H   8.2300000E-02  -1.485200       1.686900    
 H   0.6126000      -2.425600      0.3030000    
 H    2.270500     -6.6699997E-02   1.993600    
 H   -3.894600       2.296700     -0.1749000    
 H   -3.366400       2.141100      -1.843600    
 H   0.9216000       3.194200      4.7600001E-02
 H    1.496500       2.141300      -1.242900    
 H   -2.717800       1.132200       1.865800    
 H   -2.869700     -0.6200000       2.006900    
 H   -1.327800      0.1553000       2.310300    
 H    2.663300       2.402200       1.582700    
 H    3.398900       2.934000      7.3600002E-02
 H    2.580900      -2.490300       1.232800    
 H    3.980300      -1.604000       1.784800    
 H    3.277400      -2.076400      -1.158200    
 H    4.563000      -2.855000     -0.2109000    
 H    5.050700       1.395600     -0.7487000    
 H   -3.958100      -2.383100     -0.4558000    
 H   -4.800800      -1.639900      -1.843500    
 H   -6.648700      -1.504000     -0.5593000    


%chk=000123947-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123947

0 1
O -5.216693 0.192879 0.479240
O -5.958070 -2.247683 -0.336877
O 6.009949 -1.039459 -1.358307
C -1.878458 0.011252 0.158308
C -0.892821 1.104830 -0.374563
C 0.463574 1.102232 0.358743
C 1.125414 -0.307847 0.192324
C -3.117295 0.326976 -0.786120
C -1.224764 -1.374943 -0.047270
C -1.747388 2.394387 -0.409968
C 0.170757 -1.449520 0.633663
C 2.496603 -0.323199 0.965325
C -3.172598 1.891861 -0.824123
C 1.398376 2.229942 -0.143556
C -2.275431 0.216658 1.643931
C 2.796437 2.177956 0.544304
C 3.364375 0.786344 0.381815
C 3.258715 -1.670792 1.009371
C -4.412461 -0.325107 -0.351207
C 4.004773 -1.979802 -0.306785
C 4.497155 0.530173 -0.348157
C -4.767716 -1.693619 -0.939599
C 4.941047 -0.834346 -0.704932
H -0.677366 0.830617 -1.434160
H 0.291535 1.273903 1.444269
H 1.337449 -0.442505 -0.892342
H -2.852570 -0.070282 -1.788473
H -1.104591 -1.565122 -1.134977
H -1.864877 -2.184949 0.355859
H -1.351674 3.140117 -1.121490
H -1.772972 2.875510 0.586055
H 0.054002 -1.426788 1.736135
H 0.622333 -2.429285 0.389492
H 2.249346 -0.042102 2.013674
H -3.950779 2.251583 -0.129412
H -3.448981 2.240287 -1.835021
H 0.934292 3.216568 0.044787
H 1.533341 2.136327 -1.240674
H -2.831333 1.156372 1.798709
H -2.930564 -0.604506 1.987020
H -1.392888 0.230953 2.305271
H 2.667923 2.415471 1.620697
H 3.467258 2.939718 0.108087
H 2.575706 -2.499319 1.267520
H 4.004284 -1.614973 1.826932
H 3.283868 -2.127037 -1.137939
H 4.598547 -2.907670 -0.233060
H 5.104969 1.351335 -0.749765
H -3.915228 -2.389836 -0.799063
H -4.909511 -1.565817 -2.036241
H -6.323802 -1.539543 0.268551


