%chk=000225852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225852

0 1
O -3.240456 -1.324838 0.577392
O -3.924988 0.520262 -0.749045
O 2.690596 2.205692 -0.324804
O 1.847396 -2.072647 1.660760
O 1.806420 -1.483381 -2.869329
N 2.273043 0.370017 -1.579999
N 1.846981 -1.778892 -0.582909
C 2.231803 0.193811 0.926819
C 1.103453 0.814386 1.781791
C -0.230484 0.780142 1.085212
C 2.418312 1.027226 -0.328947
C 1.960137 -1.289492 0.746232
C -1.051721 -0.368598 1.247282
C -2.259057 -0.344952 0.591467
C -0.634472 1.861874 0.302840
C -2.670542 0.766180 -0.208458
C -1.879415 1.879959 -0.369281
C 1.953853 -1.002810 -1.769018
C -4.320029 -0.807707 -0.270341
H 3.194358 0.276347 1.516083
H 1.383528 1.860586 2.041214
H 1.049678 0.274189 2.754541
H -0.740304 -1.213758 1.858681
H 0.020263 2.729812 0.194752
H -2.185805 2.728638 -0.974865
H 2.372985 0.940505 -2.436766
H 1.631771 -2.782828 -0.708067
H -5.213170 -0.688530 0.357242
H -4.409136 -1.468692 -1.142780


%chk=000225852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225852

0 1
O -3.357770 -1.287260 0.679871
O -4.053893 0.575654 -0.664088
O 2.784720 2.226571 -0.331673
O 1.904211 -2.108456 1.687866
O 1.907225 -1.532102 -2.928505
N 2.338023 0.333894 -1.587694
N 1.907499 -1.778151 -0.603784
C 2.270154 0.180460 0.906606
C 1.120942 0.821834 1.778076
C -0.246159 0.800235 1.110496
C 2.491657 1.003683 -0.362135
C 2.020831 -1.315574 0.718123
C -1.102637 -0.331383 1.281474
C -2.336115 -0.305514 0.630105
C -0.669921 1.897379 0.315757
C -2.746042 0.789666 -0.161247
C -1.934725 1.912545 -0.334475
C 2.036237 -1.026782 -1.787703
C -4.393151 -0.821694 -0.281853
H 3.194749 0.273000 1.509758
H 1.433828 1.858711 1.990337
H 1.103692 0.262546 2.729798
H -0.806664 -1.179466 1.906131
H -0.006648 2.762245 0.203906
H -2.261468 2.764954 -0.934972
H 2.453666 0.890062 -2.441434
H 1.707091 -2.775463 -0.733674
H -5.374615 -0.828758 0.216828
H -4.359720 -1.460335 -1.184193


