%chk=000246639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246639

0 1
O 0.218999 -1.441547 -1.576961
O 3.385222 -1.552637 -0.282599
O 1.815934 -1.791531 1.328346
C -1.563629 -0.409507 -0.400623
C 0.794533 0.599660 -0.539522
C -0.162621 -0.518805 -0.888484
C -2.616178 -0.504617 -1.341551
C -1.865264 -0.266730 0.968787
C 2.009502 0.306474 0.105601
C 0.502383 1.924398 -0.904065
C 2.923489 1.323850 0.428960
C -4.244940 -0.272503 0.446300
C -3.945484 -0.424536 -0.916460
C -3.205546 -0.195021 1.380000
C 1.419670 2.941874 -0.578229
C 2.606315 2.649671 0.084873
C -2.314487 -0.661057 -2.796216
C -0.791449 -0.200620 1.998684
C -0.750910 2.281192 -1.631485
C 4.203479 1.011523 1.128865
C -5.667875 -0.211902 0.897335
C 2.331798 -1.103526 0.475761
C 3.756610 -2.948764 -0.111635
H -4.751341 -0.492978 -1.642064
H -3.435769 -0.087609 2.437045
H 1.195816 3.973543 -0.851515
H 3.301175 3.451983 0.332296
H -1.757025 0.207332 -3.185595
H -1.677261 -1.548809 -2.970584
H -3.211722 -0.783108 -3.413733
H -0.188151 0.713792 1.899889
H -1.176392 -0.223194 3.025639
H -0.086136 -1.052625 1.915357
H -1.625350 2.218324 -0.961350
H -0.730664 3.298225 -2.042532
H -0.949873 1.598373 -2.476058
H 4.749480 0.198878 0.618375
H 4.885015 1.870266 1.176659
H 4.025050 0.682048 2.163547
H -6.329595 0.229509 0.140317
H -6.047069 -1.224364 1.106865
H -5.792133 0.374806 1.817327
H 2.979031 -3.573128 -0.565790
H 3.874551 -3.184346 0.950451
H 4.701215 -3.012458 -0.660628


%chk=000246639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246639

0 1
O 0.288003 -1.324199 -1.574290
O 3.470913 -1.630713 -0.320278
O 1.662653 -1.835618 1.124598
C -1.593516 -0.354945 -0.412661
C 0.816662 0.702155 -0.422475
C -0.152556 -0.392700 -0.829260
C -2.602727 -0.667430 -1.383660
C -1.966248 -0.063679 0.941208
C 2.110549 0.319044 0.044912
C 0.513239 2.078080 -0.648264
C 3.113923 1.285814 0.329513
C -4.352529 -0.356048 0.339170
C -3.960128 -0.640196 -0.990860
C -3.338627 -0.078187 1.286207
C 1.524949 3.030961 -0.373191
C 2.789658 2.647363 0.113262
C -2.274701 -1.009869 -2.828105
C -0.949751 0.208608 2.039981
C -0.818365 2.559474 -1.204277
C 4.485691 0.912179 0.864800
C -5.814718 -0.382821 0.745113
C 2.354778 -1.135416 0.344313
C 3.738550 -3.076597 -0.116606
H -4.730530 -0.854900 -1.742162
H -3.620568 0.127568 2.326607
H 1.314432 4.092298 -0.550469
H 3.543718 3.413642 0.327381
H -1.519324 -0.331454 -3.263908
H -1.844276 -2.023462 -2.901079
H -3.184946 -0.965636 -3.450893
H -0.474471 1.200721 1.927098
H -1.441741 0.185915 3.027575
H -0.138657 -0.540959 2.039911
H -1.645285 2.406772 -0.488013
H -0.766407 3.636353 -1.439564
H -1.099667 2.026491 -2.130231
H 5.062889 0.347215 0.112559
H 5.054943 1.816777 1.137748
H 4.415985 0.270799 1.762758
H -6.472722 -0.080116 -0.088456
H -6.120055 -1.403124 1.049514
H -6.011141 0.286558 1.600899
H 2.878094 -3.666225 -0.473448
H 3.909440 -3.290017 0.952027
H 4.636990 -3.280678 -0.715403


