%chk=000259854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259854

0 1
O -5.262016 1.363866 0.020830
O -5.581195 -1.517610 -0.124942
O 5.785330 0.101439 -0.100409
C 0.112230 0.474286 0.414566
C -0.718545 -0.673161 -0.225871
C -2.141255 -0.615996 0.343291
C -2.828303 0.747287 -0.003792
C 1.548211 0.516617 -0.213794
C -0.588417 1.848724 0.327568
C -2.065893 1.841152 0.754895
C -4.279875 0.468519 0.502284
C -3.159733 -1.682376 -0.088542
C -0.057827 -2.027657 0.093229
C 2.154020 -0.885509 -0.230351
C 2.417727 1.458825 0.663897
C -2.875592 1.059245 -1.504021
C -4.513134 -1.007435 0.078362
C 1.424382 -2.002768 -0.105368
C 1.508512 1.020311 -1.668669
C 3.635140 -0.977378 -0.478195
C 3.904862 1.419843 0.313600
C 4.433693 -0.015428 0.414367
C 6.667582 -0.971032 0.267946
H 0.232505 0.227014 1.499327
H -0.742084 -0.538465 -1.332320
H -2.051204 -0.681317 1.460118
H -0.516309 2.237040 -0.710218
H -0.038958 2.576059 0.956282
H -2.147960 1.687710 1.846870
H -2.520707 2.831487 0.560256
H -4.372025 0.578724 1.606942
H -3.091295 -2.606832 0.509652
H -3.017946 -2.002947 -1.137251
H -0.509356 -2.817902 -0.539852
H -0.271650 -2.326479 1.141513
H 2.286174 1.187324 1.729940
H 2.049201 2.497961 0.566513
H -3.433742 1.986152 -1.687766
H -1.868321 1.205605 -1.915371
H -3.343071 0.258649 -2.084566
H 1.886971 -2.988799 -0.134659
H 1.024404 2.000413 -1.744501
H 2.518965 1.121569 -2.081609
H 0.959226 0.325269 -2.313327
H 4.005223 -2.011004 -0.339487
H 3.844188 -0.737019 -1.544005
H 4.085465 1.809248 -0.708616
H 4.483863 2.082321 0.984446
H 4.465640 -0.372160 1.464381
H -5.467067 1.192356 -0.924642
H 7.621186 -0.661997 -0.178428
H 6.329023 -1.916133 -0.165149
H 6.756755 -1.042810 1.355744


%chk=000259854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259854

0 1
O -5.355645 1.319864 0.206081
O -5.647024 -1.456481 -0.210900
O 5.942078 0.070142 0.087296
C 0.126616 0.539543 0.302796
C -0.702798 -0.653784 -0.272587
C -2.140222 -0.591069 0.276621
C -2.872267 0.760469 -0.040658
C 1.590663 0.580409 -0.284352
C -0.609782 1.907579 0.181560
C -2.085468 1.886495 0.662878
C -4.270195 0.432679 0.562369
C -3.150297 -1.696594 -0.129467
C -0.027041 -1.991209 0.109364
C 2.209356 -0.832929 -0.275806
C 2.469114 1.499689 0.634776
C -3.037271 1.045237 -1.554957
C -4.505318 -1.011323 0.067168
C 1.473546 -1.961368 -0.080492
C 1.608616 1.129892 -1.745760
C 3.714794 -0.925232 -0.507474
C 3.982095 1.447526 0.329241
C 4.511752 0.012165 0.434553
C 6.677951 -1.153595 0.400122
H 0.237625 0.325160 1.391582
H -0.729476 -0.583048 -1.379624
H -2.047601 -0.632420 1.386976
H -0.588838 2.250838 -0.868845
H -0.060596 2.671455 0.763861
H -2.121032 1.720686 1.760453
H -2.554185 2.870674 0.471347
H -4.170719 0.396068 1.674733
H -3.079374 -2.625135 0.464555
H -3.056151 -1.993198 -1.192700
H -0.460334 -2.820058 -0.486853
H -0.261794 -2.233139 1.170961
H 2.306818 1.194152 1.689776
H 2.119971 2.545870 0.548112
H -3.662484 1.944745 -1.686768
H -2.067996 1.216999 -2.050691
H -3.542547 0.217859 -2.087404
H 1.991324 -2.932355 -0.061946
H 1.378354 2.210520 -1.773376
H 2.597732 0.996630 -2.215981
H 0.872278 0.601770 -2.378200
H 4.038534 -1.975304 -0.383686
H 3.972468 -0.627678 -1.544723
H 4.196517 1.825756 -0.688385
H 4.536916 2.094005 1.033919
H 4.405290 -0.350106 1.485229
H -6.136698 0.750938 -0.041215
H 7.741788 -0.919396 0.234085
H 6.388550 -2.000098 -0.256098
H 6.529402 -1.455495 1.459632


