%chk=000249423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249423

0 1
O -3.214396 -0.748554 -0.419071
O -0.143422 -1.762670 -1.813370
O -2.725834 0.577330 1.348149
O -0.881009 0.364801 -2.050097
O -0.817947 -1.783258 2.861774
N -0.949771 -2.123821 0.594334
C 0.168654 0.120940 0.913715
C -0.927656 -0.705590 0.180206
C 1.571716 -0.364521 0.565248
C 0.222820 1.590065 0.510544
C 2.319334 0.685300 -0.052387
C 1.487370 1.894849 -0.080266
C -2.357904 -0.167044 0.479541
C -0.673504 -0.587503 -1.346378
C 2.160264 -1.597928 0.785324
C -0.715024 2.591333 0.694265
C 3.623234 0.478651 -0.476994
C 1.779138 3.175659 -0.525183
C 3.485168 -1.804140 0.353468
C -0.415891 3.890738 0.242478
C 4.201922 -0.787146 -0.273971
C 0.805308 4.177515 -0.365360
C -0.899192 -2.560859 1.932341
C -0.964908 -4.054802 2.078903
C -4.624745 -0.343518 -0.387991
C 0.339903 -1.790580 -3.200457
C -4.773368 1.006511 -1.053849
C 1.671844 -1.078594 -3.274511
H -0.014692 0.038588 2.025432
H -0.963727 -2.802097 -0.173447
H 1.627039 -2.399972 1.287980
H -1.669471 2.393163 1.188565
H 4.191549 1.276627 -0.948044
H 2.737958 3.406028 -0.981421
H 3.952530 -2.772988 0.521235
H -1.154703 4.679840 0.375451
H 5.225018 -0.964893 -0.601258
H 1.015217 5.187017 -0.714497
H -1.918794 -4.465752 1.719298
H -0.154077 -4.573263 1.551333
H -0.883314 -4.326521 3.145662
H -5.084420 -1.169687 -0.960300
H -4.966825 -0.348048 0.661945
H 0.410853 -2.880345 -3.367337
H -0.431078 -1.337086 -3.848006
H -4.360457 1.811982 -0.428354
H -4.233189 1.043413 -2.011378
H -5.824054 1.246697 -1.252147
H 2.342499 -1.391757 -2.459140
H 1.551197 0.011589 -3.175161
H 2.183033 -1.270799 -4.224117


%chk=000249423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249423

0 1
O -3.312734 -1.020917 0.004033
O 0.077557 -1.316691 -1.983973
O -2.603261 0.826102 1.235955
O -1.453616 0.442752 -2.059816
O -1.813924 -2.025194 2.436623
N -0.777399 -2.093998 0.368669
C 0.168948 0.232139 0.869075
C -0.931933 -0.654278 0.110656
C 1.573698 -0.382593 0.853870
C 0.411893 1.613935 0.236830
C 2.488896 0.495117 0.197846
C 1.772276 1.724070 -0.183677
C -2.356395 -0.188307 0.553993
C -0.832149 -0.425466 -1.417885
C 2.041682 -1.580845 1.425224
C -0.467064 2.699288 0.065424
C 3.851519 0.153389 0.061390
C 2.249528 2.899949 -0.802033
C 3.411271 -1.924986 1.292585
C 0.013542 3.881640 -0.550444
C 4.306800 -1.070637 0.604108
C 1.357279 3.980485 -0.988196
C -1.233245 -2.693321 1.524189
C -1.022570 -4.199373 1.613878
C -4.737946 -0.686294 0.320632
C 0.368051 -1.146434 -3.447738
C -5.273936 0.365188 -0.653967
C 1.486148 -0.122962 -3.651012
H -0.224011 0.328428 1.899347
H -0.258410 -2.620410 -0.337314
H 1.372761 -2.233138 1.993710
H -1.502571 2.630453 0.405965
H 4.553283 0.831872 -0.436832
H 3.295848 2.984751 -1.117338
H 3.782998 -2.853694 1.740102
H -0.664725 4.731299 -0.687084
H 5.362521 -1.350339 0.512893
H 1.708402 4.903974 -1.462667
H -1.990656 -4.707727 1.455704
H -0.299735 -4.583431 0.873481
H -0.677806 -4.457239 2.628684
H -5.255699 -1.653271 0.218656
H -4.783873 -0.338386 1.367112
H 0.660875 -2.158395 -3.769829
H -0.566448 -0.838333 -3.948370
H -4.738944 1.321150 -0.532217
H -5.161710 0.028053 -1.698517
H -6.348182 0.539009 -0.456046
H 2.388294 -0.409764 -3.084117
H 1.167697 0.880694 -3.324341
H 1.747371 -0.072415 -4.724521


