%chk=000253198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253198

0 1
O -1.680426 0.245014 -1.432216
O -2.982498 1.872480 1.087166
O -1.852666 -1.481772 1.403594
O -4.677999 -1.673980 -0.854219
O 0.666149 2.999719 -1.380586
O 4.307816 0.499386 -0.257304
N 0.257692 0.998171 -0.287645
N 2.493177 1.712764 -0.816073
N 2.695593 -1.748920 0.566748
C -1.988995 0.890430 0.865507
C -2.612204 -0.517380 0.663319
C -1.206746 1.178285 -0.447985
C -2.379840 -0.873458 -0.820998
C -3.685359 -0.997078 -1.627406
C 0.787831 -0.206814 0.230710
C 1.107627 1.979804 -0.885905
C 2.123742 -0.473990 0.238700
C 3.097025 0.530617 -0.267648
C 3.747065 -1.676138 1.623549
C 1.700639 -2.816879 0.867790
H -1.359091 0.957086 1.782417
H -3.683364 -0.559701 0.961787
H -1.411110 2.191406 -0.890666
H -1.717900 -1.760303 -0.927116
H -3.521115 -1.509742 -2.590985
H -4.136697 -0.003792 -1.823726
H -3.613411 1.931314 0.332355
H 0.043102 -0.913797 0.630621
H -2.178261 -1.536418 2.328612
H 3.121667 2.428150 -1.214875
H -4.480124 -2.633507 -0.801575
H 4.562426 -1.006215 1.280801
H 4.197028 -2.673492 1.751356
H 3.387395 -1.321417 2.598998
H 2.241966 -3.771019 0.991543
H 1.027438 -2.946575 0.003428
H 1.094829 -2.647440 1.770728


%chk=000253198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253198

0 1
O -1.853970 0.513671 -1.450615
O -3.126230 1.932341 1.049097
O -1.874260 -1.531730 1.361062
O -4.400343 -2.205825 -1.059024
O 0.683165 3.087919 -1.373462
O 4.304396 0.303655 -0.522559
N 0.247082 1.034543 -0.275679
N 2.445962 1.647758 -0.837473
N 2.578046 -1.724544 0.755552
C -2.043045 0.958060 0.887907
C -2.613466 -0.478695 0.641082
C -1.201069 1.290485 -0.372405
C -2.414522 -0.737722 -0.872750
C -3.709464 -1.048848 -1.641024
C 0.761504 -0.145331 0.301464
C 1.089350 2.003841 -0.866422
C 2.109831 -0.487617 0.278163
C 3.055987 0.458220 -0.365809
C 3.868326 -1.820247 1.475818
C 1.577217 -2.721240 1.152872
H -1.465115 1.026229 1.822536
H -3.680942 -0.500155 0.928254
H -1.290027 2.349038 -0.664042
H -1.682664 -1.563530 -0.990604
H -3.484116 -1.198094 -2.715408
H -4.421172 -0.212191 -1.546596
H -3.599446 2.042466 0.183420
H 0.018695 -0.790422 0.776359
H -2.183501 -1.570026 2.300079
H 3.081088 2.322909 -1.275497
H -3.833727 -3.012339 -1.158210
H 4.600025 -1.140548 1.017661
H 4.248355 -2.853905 1.392933
H 3.757433 -1.572024 2.555063
H 2.084433 -3.687148 1.315147
H 0.822970 -2.850846 0.355642
H 1.035614 -2.453309 2.090265


