%chk=000251912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251912

0 1
O -0.552581 -0.088886 -0.004816
O 1.197310 3.135782 -0.116489
O 1.501579 2.187524 1.886052
O -1.366812 -1.527102 1.531841
N 3.161080 -0.721084 -1.211813
C 3.126619 0.462917 -0.283729
C 2.768887 -1.844618 -0.283989
C 1.612010 0.811420 -0.160352
C 3.712944 -0.027950 1.069701
C 3.487383 -1.553453 1.065886
C 1.236860 -1.735340 -0.139621
C 0.823451 -0.375862 0.435414
C 4.487983 -0.919204 -1.854711
C 1.438208 2.045391 0.687483
C -1.585960 -0.730534 0.646482
C -2.893231 -0.299062 0.099793
C -4.058426 -0.838209 0.669997
C -2.980436 0.621078 -0.955524
C -5.308319 -0.454338 0.180583
C -4.234855 0.999795 -1.439792
C -5.395982 0.463188 -0.872798
H 3.680213 1.331281 -0.697991
H 3.046498 -2.834517 -0.700926
H 1.213930 1.009535 -1.197588
H 3.225310 0.458941 1.933523
H 4.782814 0.221446 1.144783
H 4.440613 -2.100628 1.129497
H 2.886480 -1.881481 1.928687
H 0.765261 -1.870854 -1.136402
H 0.841603 -2.547198 0.501425
H 0.830150 -0.370690 1.548967
H 4.703418 -0.053772 -2.502846
H 4.433630 -1.805517 -2.508514
H 5.329450 -1.051777 -1.158920
H 1.071967 3.975923 0.401222
H -3.975574 -1.553600 1.492868
H -2.065964 1.034350 -1.389959
H -6.214478 -0.869274 0.619752
H -4.307377 1.713701 -2.259020
H -6.373455 0.761076 -1.252756


%chk=000251912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251912

0 1
O -0.589571 -0.033668 -0.182210
O 1.541023 3.239307 -0.273329
O 1.148776 2.145544 1.733748
O -1.346174 -1.429366 1.530108
N 3.361506 -0.706715 -1.190841
C 3.193234 0.446203 -0.257122
C 2.795702 -1.834085 -0.377605
C 1.668566 0.832904 -0.305242
C 3.629637 -0.084773 1.156314
C 3.375989 -1.628608 1.069708
C 1.254172 -1.693584 -0.411591
C 0.822172 -0.347953 0.205196
C 4.760497 -0.916682 -1.632405
C 1.407874 2.084179 0.510471
C -1.592916 -0.646743 0.578250
C -2.958435 -0.260712 0.116878
C -4.072276 -0.809014 0.804693
C -3.164885 0.622139 -0.975076
C -5.382388 -0.476903 0.404249
C -4.478152 0.951110 -1.372424
C -5.587804 0.403430 -0.685302
H 3.788126 1.309385 -0.600106
H 3.088517 -2.801649 -0.819883
H 1.431092 1.040169 -1.361691
H 3.060340 0.392401 1.972576
H 4.697976 0.133594 1.329334
H 4.316035 -2.193661 1.196418
H 2.672391 -1.982124 1.843735
H 0.924344 -1.731627 -1.465391
H 0.772246 -2.519185 0.141088
H 0.850769 -0.396478 1.308777
H 5.096100 -0.032710 -2.202949
H 4.795547 -1.787783 -2.310030
H 5.489563 -1.092228 -0.805887
H 1.393675 4.040165 0.300686
H -3.886889 -1.487189 1.644241
H -2.298838 1.038514 -1.496736
H -6.240686 -0.900605 0.936718
H -4.638217 1.632326 -2.215211
H -6.606438 0.661076 -0.996755


