%chk=000200596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200596

0 1
O -1.268111 0.206504 -0.284832
O -2.586726 0.018953 1.636529
O 2.422988 -1.191385 -1.278736
O -0.969353 -2.553385 -1.242571
O 1.076170 0.689256 1.559159
O -2.217180 3.262551 0.833448
O 3.288793 0.756361 -0.569438
O -4.731236 2.591431 -0.733946
O -5.959081 0.213760 0.404448
O 2.576950 -4.106380 -2.219331
O -2.337083 -2.583126 1.119981
O 6.381735 1.222937 2.073157
N 5.476901 0.312010 0.302860
N 5.691882 1.317333 1.067200
C -0.107871 -0.610222 0.009894
C 0.022314 -1.544186 -1.214155
C 1.101668 0.336959 0.164879
C -1.819167 0.908468 0.831910
C -2.643057 2.059629 0.203896
C 1.414649 -2.224691 -1.213820
C -4.161726 1.834959 0.339928
C -4.559917 0.349898 0.161209
C -3.762781 -0.599973 1.073608
C 2.466883 -0.327674 -0.128281
C 1.647998 -3.056138 -2.484426
C -3.315748 -1.870897 0.337725
C 4.652582 0.403183 -0.908537
C 5.116019 2.681566 0.807762
H -0.293516 -1.176861 0.953972
H -0.162818 -0.975458 -2.159508
H 0.968134 1.252807 -0.460894
H -1.035133 1.252935 1.552657
H -2.363430 2.226457 -0.871491
H 1.578298 -2.843945 -0.304210
H -4.547288 2.243440 1.300903
H -4.484587 0.065691 -0.920936
H -4.331429 -0.851524 2.002330
H 2.919518 -0.863267 0.729316
H 2.008497 -2.427132 -3.318584
H 0.721956 -3.598802 -2.776177
H -4.138712 -2.594922 0.198587
H -2.834288 -1.639266 -0.640721
H -1.114045 -2.975468 -0.342284
H 1.695647 1.431327 1.735750
H -2.616221 3.367379 1.724505
H -5.687791 2.362660 -0.836228
H -6.184213 0.383409 1.345031
H 4.690065 -0.600712 -1.391514
H 4.931726 1.204911 -1.623445
H 3.468414 -3.734258 -2.041055
H -1.869637 -1.944493 1.724025
H 5.681843 3.202197 0.017583
H 5.182880 3.306850 1.716633
H 4.057631 2.633043 0.496935


%chk=000200596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200596

0 1
O -1.352196 0.600242 -0.240426
O -2.470778 0.106382 1.890125
O 2.293292 -0.970538 -1.640974
O -1.261883 -2.143693 -1.217147
O 1.178107 1.562156 0.903340
O -3.390480 2.826066 1.864321
O 3.478871 0.848208 -0.723182
O -4.162525 1.956680 -1.484403
O -5.400534 -0.634960 -0.439127
O 2.516400 -3.604915 -2.724683
O -2.086082 -2.421365 1.325911
O 6.019813 0.793975 2.668264
N 5.250843 -0.091600 0.709998
N 5.641076 0.945656 1.436110
C -0.100387 -0.174002 -0.180361
C -0.165863 -1.202445 -1.336631
C 1.120141 0.751529 -0.317594
C -1.861516 1.142465 0.991167
C -2.954907 2.159336 0.628946
C 1.185979 -1.956337 -1.449731
C -4.150208 1.481489 -0.103145
C -4.099385 -0.059350 -0.041768
C -3.723977 -0.543715 1.377338
C 2.403097 -0.087983 -0.477352
C 1.246421 -2.878198 -2.668731
C -3.510344 -2.081563 1.484684
C 4.827292 0.225045 -0.674380
C 5.712447 2.378704 0.917012
H -0.023564 -0.697332 0.797438
H -0.336443 -0.644208 -2.277646
H 1.009284 1.385320 -1.221022
H -1.063705 1.571807 1.618663
H -2.552670 2.948120 -0.023482
H 1.381474 -2.544752 -0.525631
H -5.070961 1.820336 0.430371
H -3.392373 -0.447928 -0.790265
H -4.538785 -0.245642 2.072703
H 2.606910 -0.691008 0.436743
H 1.084686 -2.276732 -3.588616
H 0.455009 -3.637740 -2.590473
H -3.854920 -2.456321 2.466360
H -4.059621 -2.599034 0.683121
H -1.504648 -2.330585 -0.248561
H 1.946530 2.182322 0.826298
H -3.370125 2.156631 2.599004
H -4.786643 1.386389 -2.004063
H -6.115415 -0.247830 0.133511
H 4.804392 -0.737067 -1.208529
H 5.475067 0.941697 -1.210258
H 3.242393 -2.929356 -2.709022
H -1.601682 -1.748059 1.880200
H 6.634616 2.494620 0.323480
H 5.760291 3.016724 1.808160
H 4.828185 2.607056 0.304635


