%chk=000073411.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073411

0 1
 O   -2.008800       2.060000      -1.343800    
 O    1.224400     -0.4291000      0.4055000    
 O   -1.972400      -3.929400     -0.5146000    
 O  -0.3544000      -1.347700       3.014900    
 O   -2.755500       3.692500      8.0200002E-02
 O    2.682000       1.252200       1.016200    
 C   -1.160400     -0.5718000      0.8363000    
 C   -1.339800      -1.554700     -0.3556000    
 C   5.9200000E-02  0.3714000      0.7005000    
 C   5.4200001E-02   1.546700     -0.3095000    
 C   -1.943400     -0.9197000      -1.626300    
 C  -0.7503000       1.421400      -1.601600    
 C   -2.114800      -2.743200      0.2535000    
 C  -0.9483000      6.7599997E-02  -2.274100    
 C  -0.9118000      -1.595900       1.951600    
 C   -1.476900      -2.954300       1.625200    
 C  -0.4501000       2.913000      0.1862000    
 C   -2.451200      0.1386000       1.279500    
 C   -2.319700      -1.974300      -2.679600    
 C   -1.866500       2.958200     -0.3216000    
 C  -0.3272000       3.227600       1.664600    
 C    2.394500      0.2543000      0.3768000    
 C    3.266200     -0.4335000     -0.6051000    
 C    4.611000     -0.4527000     -0.5746000    
 C    5.372200      -1.195500      -1.642800    
 C    5.487600      0.1983000      0.4585000    
 H  -0.3600000      -1.961900     -0.6502000    
 H   0.2536000      0.7722000       1.702000    
 H    1.070800       1.737100     -0.6633000    
 H   -2.872100     -0.3938000      -1.382000    
 H  -0.2580000       2.053300      -2.357200    
 H   -3.182900      -2.514200      0.3415000    
 H   2.6699999E-02 -0.4147000      -2.419200    
 H   -1.325900      0.2892000      -3.282500    
 H  -0.6679000      -3.690300       1.597700    
 H   -2.224400      -3.246500       2.367100    
 H   8.5800000E-02   3.698600     -0.3663000    
 H   -2.911500      0.7303000      0.4925000    
 H   -3.217700     -0.5694000       1.616500    
 H   -2.261200      0.7954000       2.134200    
 H   -3.137800      -2.610700      -2.329100    
 H   -2.671700      -1.499000      -3.602100    
 H   -1.463500      -2.607900      -2.933900    
 H  -0.9810000       2.606600       2.281200    
 H   0.7045000       3.107400       2.008700    
 H  -0.6192000       4.266800       1.854500    
 H   -2.435400      -4.641000     -4.0199999E-02
 H    2.742600     -0.9737000      -1.391200    
 H    6.048500     -0.5131000      -2.168100    
 H    4.711300      -1.647000      -2.390300    
 H    5.966200      -1.999800      -1.196400    
 H    4.944100      0.5331000       1.344000    
 H    6.003500       1.061000      2.4900001E-02
 H    6.244000     -0.5115000      0.8115000    


%chk=000073411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073411

0 1
O -2.432431 2.196901 -1.178115
O 1.205642 -0.335237 -0.104801
O -1.722667 -3.901193 -0.835858
O 0.087389 -1.288475 2.782255
O -3.049171 3.694508 0.488943
O 2.696277 1.204923 0.830023
C -1.054638 -0.564407 0.687390
C -1.385705 -1.482949 -0.539926
C 0.063724 0.475530 0.451322
C -0.146237 1.701339 -0.481059
C -2.247086 -0.814246 -1.643406
C -1.134512 1.605778 -1.681643
C -1.934152 -2.786513 0.105858
C -1.436293 0.281044 -2.392914
C -0.581898 -1.578850 1.764614
C -1.104315 -2.968336 1.401200
C -0.648205 3.016714 0.208846
C -2.321759 0.077678 1.338448
C -2.772009 -1.823516 -2.694502
C -2.155052 3.052268 -0.085566
C -0.299742 3.275702 1.684119
C 2.506663 0.133095 0.194063
C 3.492169 -0.811361 -0.361493
C 4.858203 -0.704004 -0.284879
C 5.730769 -1.773460 -0.912582
C 5.600705 0.423622 0.398457
H -0.417970 -1.779448 -0.994585
H 0.405441 0.843810 1.436013
H 0.858972 1.906237 -0.887902
H -3.128551 -0.329559 -1.179641
H -0.773201 2.322225 -2.448492
H -3.016626 -2.691909 0.337946
H -0.467880 -0.146757 -2.725526
H -1.995876 0.541071 -3.312204
H -0.226083 -3.605642 1.174360
H -1.640599 -3.429828 2.249373
H -0.223556 3.854691 -0.387190
H -2.860340 0.738571 0.644387
H -3.033329 -0.704060 1.661894
H -2.039537 0.653317 2.237121
H -3.387503 -2.612775 -2.233903
H -3.388263 -1.296222 -3.447127
H -1.939863 -2.331277 -3.215363
H -0.783702 2.551090 2.360476
H 0.791817 3.218536 1.836864
H -0.652366 4.279061 1.977560
H -2.108228 -4.726367 -0.445757
H 3.048588 -1.672941 -0.872664
H 6.392732 -1.330591 -1.682450
H 5.140219 -2.577798 -1.381645
H 6.396326 -2.226134 -0.151671
H 4.921216 1.185420 0.804477
H 6.304859 0.898679 -0.312778
H 6.218831 0.018544 1.224236


