%chk=000179396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179396

0 1
O -0.846937 0.467839 0.619288
O 0.903748 0.215014 2.079535
O 1.629040 -0.016088 -1.837132
O -2.788707 0.300338 1.864857
O -2.628356 3.388193 1.673424
O -2.685356 2.656847 -1.550969
O -4.703415 0.537004 -1.279714
O 0.321353 -4.963654 0.529290
O 4.635236 0.453076 -0.736010
O -4.671994 -2.053141 -0.178700
O 3.941641 2.432133 0.101989
C 0.637904 -1.227906 0.023593
C 1.948254 -0.561232 -0.556160
C 0.004314 -0.521146 1.209375
C 2.911820 -1.745556 -0.835082
C 1.046701 -2.658837 0.299400
C 2.532592 0.496801 0.340747
C 2.271040 -2.931460 -0.182035
C -1.726798 1.172181 1.507484
C -2.174887 2.430656 0.726289
C -3.253468 2.143148 -0.340363
C -3.500375 0.629496 -0.509283
C -3.741639 -0.071271 0.843619
C 0.128246 -3.617016 0.984127
C 2.010622 0.795040 1.549375
C 3.719430 1.256761 -0.093991
C -3.637329 -1.602004 0.706171
C 5.818769 1.118029 -1.259394
H -0.113460 -1.222503 -0.818076
H -0.545368 -1.146697 1.942718
H 3.935118 -1.549871 -0.454879
H 3.024851 -1.881101 -1.932285
H 2.785130 -3.881040 -0.133752
H -1.248458 1.393534 2.487741
H -1.293535 2.938233 0.245520
H -4.202535 2.687051 -0.127894
H -2.657500 0.164880 -1.075231
H -4.724972 0.230194 1.273233
H -0.937678 -3.352777 0.847281
H 0.354085 -3.699018 2.069595
H 2.411738 1.502242 2.282377
H 1.153360 0.840483 -1.757247
H -3.707342 -2.103988 1.685979
H -2.705263 -1.915449 0.198304
H -3.425895 3.066631 2.153297
H -3.318734 2.521785 -2.296591
H -4.898323 -0.424310 -1.467731
H 0.237639 -5.009424 -0.446755
H -5.531586 -2.101440 0.294041
H 6.484460 0.278617 -1.483242
H 6.242725 1.792240 -0.507293
H 5.537289 1.669782 -2.161740


%chk=000179396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179396

0 1
O -0.980374 -0.169269 0.838725
O 0.841706 -0.374507 2.392145
O 0.773820 -0.248577 -1.607720
O -3.201871 0.255212 1.689525
O -2.569203 3.032511 1.781819
O -0.946501 2.011526 -1.304849
O -3.903668 1.248482 -1.929463
O 2.141557 -5.119651 1.837873
O 3.585886 0.981695 -1.383906
O -5.512813 -0.863865 -1.049405
O 3.669416 2.126954 0.636328
C 0.631865 -1.821833 0.368766
C 1.519793 -0.838523 -0.506113
C -0.091194 -1.109709 1.506945
C 2.590727 -1.819100 -1.093998
C 1.596422 -2.939171 0.764671
C 2.159492 0.220253 0.401339
C 2.668185 -2.937525 -0.072148
C -1.808798 0.705857 1.658103
C -1.727156 2.101906 1.018283
C -2.164529 2.051103 -0.469106
C -3.068560 0.846707 -0.792932
C -3.961905 0.429012 0.404547
C 1.287313 -3.928676 1.862566
C 1.831341 0.344447 1.725094
C 3.188039 1.193606 -0.061628
C -4.651254 -0.927254 0.155455
C 4.565345 1.959957 -1.910625
H -0.156373 -2.217947 -0.304756
H -0.645105 -1.760198 2.207607
H 3.551754 -1.321052 -1.289419
H 2.207737 -2.179619 -2.070064
H 3.491880 -3.656481 -0.028600
H -1.486417 0.700538 2.713163
H -0.699862 2.494374 1.072232
H -2.732096 2.978709 -0.676132
H -2.419279 -0.009143 -1.062951
H -4.721780 1.220954 0.575062
H 0.209969 -4.215013 1.815882
H 1.466080 -3.484995 2.859882
H 2.334700 1.054527 2.386971
H 0.189265 0.502622 -1.283829
H -5.227780 -1.237292 1.047009
H -3.893474 -1.695425 -0.067918
H -3.340341 2.526151 2.151048
H -1.214306 2.157455 -2.247509
H -4.524851 0.487396 -2.116522
H 2.119144 -5.499616 0.922146
H -6.397463 -0.491132 -0.809556
H 4.731652 1.651794 -2.952369
H 5.500676 1.922666 -1.326731
H 4.150382 2.980459 -1.857833


