%chk=000261132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261132

0 1
O 2.671796 -0.762526 0.565685
O -2.686221 0.781496 0.557362
O 0.665876 -2.538428 0.980005
O -0.680582 2.560947 0.954477
O 4.797764 5.082796 -0.519821
O -4.862113 -4.994024 -0.609024
O 2.750836 -1.157320 -1.665787
O -2.761432 1.163643 -1.676598
C 1.067971 1.002876 0.446791
C -1.082944 -0.985468 0.458992
C 1.362340 -0.310296 0.511144
C -1.377486 0.328446 0.508141
C 0.343017 -1.418398 0.679281
C -0.357806 1.438334 0.664139
C 2.050544 2.061196 0.179853
C -2.065758 -2.047185 0.206824
C 2.210950 3.126970 1.088777
C -2.216233 -3.106150 1.117649
C 2.814360 2.020278 -0.998991
C -2.843465 -2.011436 -0.969216
C 3.141118 4.129711 0.840486
C -3.151015 -4.114838 0.880659
C 3.747545 3.020523 -1.271476
C -3.775105 -3.009247 -1.228008
C 3.899663 4.059914 -0.341817
C -3.918392 -4.049032 -0.291248
C 3.291065 -1.265406 -0.595764
C -3.301736 1.282668 -0.608194
C 4.602245 -1.836837 -0.234227
C -4.608643 1.863613 -0.247373
C 5.441377 -2.265311 -1.278378
C -5.500374 2.174616 -1.289356
C 5.009195 -1.965010 1.102704
C -4.959123 2.115570 1.087936
C 6.687703 -2.815990 -0.978473
C -6.743250 2.732407 -0.988010
C 6.259205 -2.517565 1.392784
C -6.205706 2.675162 1.379223
C 7.096020 -2.941389 0.355227
C -7.095287 2.981833 0.344292
H 1.592183 3.168091 1.987995
H -1.591194 -3.145796 2.012421
H 2.670538 1.202694 -1.713068
H -2.703752 -1.195901 -1.686641
H 3.287451 4.960627 1.527485
H -3.270198 -4.930651 1.585843
H 4.333981 2.991632 -2.183932
H -4.384555 -3.006797 -2.129389
H 5.110009 -2.166778 -2.315575
H -5.212955 1.980381 -2.326039
H 4.345018 -1.633314 1.906571
H -4.253966 1.873895 1.888861
H 5.295740 4.999531 -1.370143
H -4.915842 -5.711760 0.069131
H 7.342040 -3.150439 -1.782841
H -7.438972 2.975252 -1.790569
H 6.579706 -2.619070 2.429232
H -6.482489 2.873381 2.414215
H 8.070882 -3.373136 0.585352
H -8.067646 3.418716 0.575218


%chk=000261132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261132

0 1
O 2.738144 -0.563520 0.314952
O -2.765148 0.595108 0.317873
O 0.900781 -2.547590 0.247825
O -0.926029 2.577868 0.204564
O 4.688524 5.451666 -0.488905
O -4.789707 -5.366118 -0.432093
O 2.968578 -1.464513 -1.833845
O -2.997927 1.463960 -1.844346
C 1.005624 1.111761 0.055679
C -1.034375 -1.085346 0.087016
C 1.387117 -0.212408 0.121375
C -1.416056 0.240367 0.125446
C 0.439339 -1.366392 0.160490
C -0.467454 1.394870 0.135129
C 1.961967 2.230908 -0.078626
C -1.990894 -2.207874 -0.014728
C 1.808017 3.445738 0.652490
C -1.820044 -3.406725 0.733490
C 3.059119 2.120540 -0.980459
C -3.106680 -2.118040 -0.900596
C 2.728260 4.497308 0.510813
C -2.740431 -4.465159 0.622423
C 3.973813 3.174682 -1.144086
C -4.019619 -3.174793 -1.031961
C 3.812207 4.363566 -0.388279
C -3.840836 -4.349765 -0.262479
C 3.393431 -1.380631 -0.664355
C -3.422058 1.399631 -0.673801
C 4.628214 -1.991965 -0.115005
C -4.653386 2.022294 -0.130931
C 5.437673 -2.755291 -0.997816
C -5.466622 2.768182 -1.025157
C 5.006568 -1.839289 1.244439
C -5.024893 1.897801 1.233246
C 6.617989 -3.360525 -0.523277
C -6.643827 3.384204 -0.557076
C 6.190204 -2.446201 1.712961
C -6.205259 2.515718 1.695306
C 6.996789 -3.206023 0.832343
C -7.015590 3.258147 0.803391
H 0.965890 3.561304 1.337838
H -0.966944 -3.507968 1.407225
H 3.169248 1.219273 -1.591417
H -3.230784 -1.227832 -1.524766
H 2.622050 5.425817 1.078570
H -2.598085 -5.376464 1.217361
H 4.800172 3.076217 -1.859559
H -4.863839 -3.115957 -1.724412
H 5.121381 -2.864996 -2.040404
H -5.156195 2.855495 -2.071594
H 4.371915 -1.253347 1.914305
H -4.387551 1.324840 1.911698
H 5.410862 5.270084 -1.140809
H -4.574212 -6.152349 0.129261
H 7.240672 -3.951875 -1.202918
H -7.269817 3.961472 -1.245676
H 6.484032 -2.330398 2.761605
H -6.493877 2.421846 2.747579
H 7.914792 -3.677551 1.200774
H -7.931340 3.737937 1.166705


