%chk=000125639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125639

0 1
 O   -6.950200      -1.951800     -0.5545000    
 O    5.666000      -1.420100     -0.4019000    
 O    8.882800       1.236400      0.6291000    
 O    8.033000      0.4657000      -1.335800    
 C   -2.095700     -0.9886000     -0.3349000    
 C   -3.430500     -0.9300000      0.4157000    
 C  -0.9068000     -0.5118000      0.5026000    
 C   -4.623800      -1.379700     -0.4368000    
 C   0.4077000     -0.6605000     -0.2672000    
 C   -5.959800      -1.405400      0.3195000    
 C    1.594700     -0.1540000      0.5556000    
 C    2.911000     -0.3335000     -0.2037000    
 C   -6.455500     -4.6000000E-02  0.8312000    
 C    4.136500      0.1551000      0.5804000    
 C   -6.634800       1.041100     -0.2312000    
 C    5.472800     -2.8100001E-02 -0.1529000    
 C   -7.220400       2.339900      0.3232000    
 C    6.655300      0.4851000      0.6758000    
 C   -7.385600       3.384400     -0.7703000    
 C    7.903200      0.7019000     -0.1441000    
 H   -2.166300     -0.3763000      -1.242500    
 H   -1.918100      -2.020700     -0.6622000    
 H   -3.367800      -1.560900       1.310700    
 H   -3.593100      9.7900003E-02  0.7597000    
 H  -0.8557000      -1.092800       1.431300    
 H   -1.056400      0.5373000      0.7845000    
 H   -4.421900      -2.389100     -0.8197000    
 H   -4.706900     -0.7514000      -1.331900    
 H   0.5624000      -1.714700     -0.5272000    
 H   0.3490000     -0.1001000      -1.208300    
 H   -5.879100      -2.086800       1.174900    
 H    1.451700      0.9061000      0.7971000    
 H    1.644300     -0.6991000       1.505900    
 H    2.858300      0.2096000      -1.155300    
 H    3.037400      -1.394500     -0.4512000    
 H   -7.428600     -0.2032000       1.314900    
 H   -5.776800      0.3212000       1.610100    
 H    4.173200     -0.3950000       1.529800    
 H    4.000300       1.215400      0.8262000    
 H   -5.665500       1.263100     -0.6928000    
 H   -7.287800      0.6661000      -1.028500    
 H    5.421500      0.4824000      -1.121600    
 H   -8.195500       2.141500      0.7829000    
 H   -6.565800       2.737000       1.107500    
 H    6.898100     -0.2287000       1.471400    
 H    6.396300       1.452800       1.120900    
 H   -6.661200      -2.845800     -0.8051000    
 H   -6.422000       3.627500      -1.229500    
 H   -8.060600       3.027900      -1.554900    
 H   -7.805200       4.305300     -0.3538000    
 H    6.490600      -1.517100     -0.9079000    
 H    9.703700       1.400600      0.1177000    


%chk=000125639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125639

0 1
O -7.067770 -1.966708 -0.499197
O 5.719870 -1.424344 -0.330776
O 9.055254 1.242824 0.482470
O 8.311513 -0.447332 -0.912363
C -2.107093 -0.953427 -0.397634
C -3.446148 -0.863576 0.368163
C -0.895786 -0.478247 0.435971
C -4.654447 -1.352369 -0.462758
C 0.446165 -0.577338 -0.323552
C -5.972680 -1.423844 0.341444
C 1.660967 -0.121954 0.516028
C 3.000140 -0.239585 -0.244345
C -6.495587 -0.074644 0.872419
C 4.211562 0.217746 0.595812
C -6.714052 1.007183 -0.208492
C 5.548957 0.021287 -0.134812
C -7.406289 2.271260 0.350582
C 6.732294 0.608391 0.675650
C -7.606338 3.366449 -0.719431
C 8.065851 0.391401 -0.007968
H -2.173492 -0.350498 -1.327314
H -1.939009 -2.002527 -0.719895
H -3.372841 -1.464022 1.299894
H -3.613523 0.185274 0.686502
H -0.834753 -1.080615 1.366710
H -1.060003 0.572057 0.756374
H -4.426758 -2.368733 -0.853696
H -4.801107 -0.702192 -1.346339
H 0.604663 -1.625321 -0.653130
H 0.390267 0.033724 -1.248823
H -5.812351 -2.103643 1.210716
H 1.507329 0.928825 0.841989
H 1.711724 -0.730893 1.443038
H 2.947864 0.366141 -1.173848
H 3.167580 -1.287044 -0.557455
H -7.457791 -0.276434 1.383013
H -5.797697 0.299459 1.648363
H 4.246240 -0.360964 1.540866
H 4.099229 1.287718 0.867352
H -5.741994 1.301027 -0.656003
H -7.325284 0.576639 -1.024569
H 5.507564 0.534746 -1.122908
H -8.389466 1.986739 0.778063
H -6.807600 2.678488 1.191802
H 6.777230 0.110681 1.665342
H 6.598731 1.688819 0.864963
H -6.762621 -2.817436 -0.905774
H -6.635431 3.694604 -1.137095
H -8.220465 2.988710 -1.558608
H -8.113160 4.256157 -0.301905
H 6.573031 -1.553962 -0.828990
H 9.919911 1.046905 0.027058


