%chk=000181633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181633

0 1
O 2.153878 2.493672 -1.409670
O 3.696518 0.494121 -2.303818
O -1.030097 -2.628509 1.399468
O -3.565136 -0.190575 -0.843206
O 2.661771 1.301511 1.476093
O -5.708897 -0.692731 -0.326246
C -0.338556 -0.358898 0.635447
C 0.865989 -0.901411 -0.218748
C 1.910566 0.192521 -0.604631
C -0.942890 0.862038 -0.138764
C 1.218711 1.421554 -1.223727
C -2.289515 1.422433 0.407735
C 2.900712 -0.473475 -1.614942
C 0.122424 1.956250 -0.302432
C -1.448368 -1.462125 0.676573
C 1.572845 -2.103383 0.447350
C 3.750949 -1.369090 -0.672507
C 2.860144 -2.557854 -0.260179
C -3.306800 0.249701 0.542066
C 2.826378 0.492033 0.601561
C -2.763604 -0.960682 1.290478
C 0.093683 -0.005420 2.058246
C 3.999751 -0.461582 0.512603
C -2.174200 2.116070 1.771385
C -2.864558 2.434924 -0.604082
C 5.032573 -0.472688 1.346964
C -4.823740 -0.656148 -1.148218
C -4.857378 -1.062323 -2.580398
H 0.427511 -1.265975 -1.184262
H -1.202779 0.478419 -1.166171
H 0.810821 1.151345 -2.226704
H 2.406996 -1.011793 -2.445777
H -0.302305 2.887632 -0.724071
H 0.564667 2.248971 0.676168
H -1.631807 -1.879082 -0.342198
H 0.859976 -2.957099 0.497680
H 1.802266 -1.858728 1.505728
H 4.686033 -1.714064 -1.155323
H 3.426823 -3.231590 0.411012
H 2.612984 -3.160788 -1.154750
H -4.272510 0.595226 0.975897
H -3.508117 -1.785010 1.271994
H -2.630518 -0.713859 2.361464
H 0.739413 -0.773744 2.499289
H 0.668756 0.938512 2.075985
H -0.764734 0.151715 2.724786
H -1.860531 1.425895 2.565950
H -1.431526 2.923077 1.739950
H -3.123459 2.567004 2.080430
H -2.180464 3.278663 -0.756491
H -3.039246 1.968342 -1.581489
H -3.820472 2.847039 -0.265245
H 2.762843 2.269100 -2.158675
H 4.333627 0.932712 -1.694779
H -0.837944 -2.416523 2.334120
H 5.856963 -1.169015 1.272735
H 5.119440 0.226013 2.174388
H -5.061540 -2.141216 -2.672748
H -3.910419 -0.854044 -3.101661
H -5.663303 -0.535471 -3.115636


%chk=000181633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181633

0 1
O 2.198604 2.625325 -1.323211
O 3.755997 0.596244 -2.304656
O -1.078588 -2.628050 1.578833
O -3.582384 -0.215522 -0.939151
O 2.905512 1.305456 1.549079
O -5.764718 -0.808762 -0.355483
C -0.327757 -0.330461 0.739019
C 0.894932 -0.864246 -0.135529
C 1.969861 0.246408 -0.542920
C -0.928366 0.907521 -0.055453
C 1.271276 1.516772 -1.105603
C -2.338083 1.454608 0.387702
C 2.902163 -0.409987 -1.615042
C 0.133694 2.017768 -0.217108
C -1.441478 -1.441797 0.770906
C 1.614332 -2.118697 0.447928
C 3.753416 -1.393697 -0.781754
C 2.832806 -2.584844 -0.386408
C -3.334592 0.266980 0.469659
C 2.979435 0.473196 0.611348
C -2.807466 -0.928587 1.271291
C 0.101087 0.002847 2.193765
C 4.106981 -0.526687 0.425142
C -2.350010 2.199305 1.753316
C -2.866267 2.460966 -0.677547
C 5.199700 -0.577263 1.227115
C -4.850034 -0.740438 -1.209120
C -4.947500 -1.211439 -2.644971
H 0.438449 -1.169990 -1.107030
H -1.123658 0.507789 -1.078159
H 0.829514 1.205457 -2.085372
H 2.325663 -0.894126 -2.421281
H -0.295670 2.904433 -0.714106
H 0.552441 2.355364 0.746170
H -1.563417 -1.855786 -0.247098
H 0.886555 -2.939386 0.544636
H 1.962068 -1.902616 1.475679
H 4.638828 -1.758249 -1.334671
H 3.413061 -3.326397 0.193848
H 2.497810 -3.088570 -1.315210
H -4.309146 0.600749 0.874137
H -3.534848 -1.758377 1.225559
H -2.734257 -0.634943 2.337542
H 0.738669 -0.792524 2.618443
H 0.681036 0.935522 2.253842
H -0.769322 0.110562 2.863721
H -2.187988 1.539760 2.620708
H -1.565295 2.975619 1.772941
H -3.323437 2.705352 1.895826
H -2.354621 3.435275 -0.593817
H -2.727609 2.078597 -1.702937
H -3.947478 2.640917 -0.525581
H 2.922422 2.254585 -1.904772
H 4.642762 0.625882 -1.861953
H -1.035439 -2.352598 2.530061
H 6.004480 -1.307006 1.080363
H 5.296970 0.132181 2.058222
H -5.086447 -2.307045 -2.660279
H -4.046140 -0.948650 -3.217176
H -5.837910 -0.763105 -3.117405


