%chk=000250854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250854

0 1
O 6.265682 0.870505 -0.437902
O -5.786006 -0.052185 0.294771
N 4.951347 1.281474 -0.187663
C 2.031905 -0.771685 -0.301470
C 2.649050 0.527136 0.318871
C 0.552723 -0.880472 0.079894
C -0.182309 0.326389 -0.577324
C 1.967063 1.731818 -0.346162
C 3.019469 -1.884152 0.093916
C 0.445517 1.666170 -0.126197
C -0.093143 -2.185552 -0.404403
C 4.135788 0.297284 0.010089
C 4.401397 -1.195871 -0.003489
C 2.534733 0.616136 1.848969
C -1.671546 0.258437 -0.313781
C -1.538870 -2.267456 0.096456
C -2.303016 -0.976063 -0.029213
C -2.458099 1.412360 -0.413780
C -3.685781 -1.026744 0.168159
C -3.842472 1.385313 -0.219797
C -4.440197 0.155926 0.073211
C -6.666495 1.093771 0.218960
H 2.085976 -0.677471 -1.418463
H 0.440964 -0.817733 1.188802
H -0.050897 0.246719 -1.689373
H 2.202538 1.756326 -1.426723
H 2.370099 2.678042 0.062564
H 2.949833 -2.754464 -0.575912
H 2.827210 -2.254669 1.114241
H 0.216141 1.836646 0.944114
H -0.031465 2.501596 -0.674995
H 0.479934 -3.059045 -0.042669
H -0.068247 -2.242258 -1.509423
H 4.936806 -1.479757 -0.929136
H 5.067517 -1.479472 0.831113
H 3.044593 1.511511 2.224532
H 1.487909 0.672417 2.170775
H 2.983434 -0.250677 2.345600
H -1.547356 -2.574182 1.165524
H -2.072511 -3.074978 -0.447024
H -1.987800 2.368663 -0.652964
H -4.195517 -1.960487 0.392506
H -4.419346 2.298216 -0.300310
H 6.746465 1.749881 -0.573116
H -6.400043 1.829206 0.983275
H -7.643590 0.641332 0.432166
H -6.644887 1.523899 -0.786322


%chk=000250854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250854

0 1
O 6.338634 0.765586 -0.530634
O -5.915186 -0.088444 0.221371
N 4.978794 1.294712 -0.234406
C 2.056424 -0.769006 -0.238214
C 2.690285 0.543375 0.338034
C 0.561765 -0.887045 0.100865
C -0.179953 0.341187 -0.520277
C 1.989979 1.757266 -0.311980
C 3.058902 -1.878353 0.168552
C 0.453722 1.697001 -0.087434
C -0.092066 -2.184034 -0.422490
C 4.158541 0.300559 -0.015605
C 4.444331 -1.198894 -0.067363
C 2.614034 0.639703 1.894886
C -1.697102 0.257678 -0.282145
C -1.540538 -2.297708 0.092741
C -2.335641 -0.998762 -0.035919
C -2.516553 1.410314 -0.353894
C -3.736695 -1.055606 0.122922
C -3.918904 1.360541 -0.192685
C -4.532853 0.108959 0.047243
C -6.774392 1.093758 0.148301
H 2.126788 -0.675928 -1.347853
H 0.431689 -0.867487 1.204313
H -0.014574 0.257493 -1.620990
H 2.207821 1.756192 -1.398939
H 2.393186 2.705281 0.090985
H 2.947291 -2.797123 -0.432618
H 2.929427 -2.161433 1.230335
H 0.209637 1.890717 0.975653
H -0.004408 2.523026 -0.663555
H 0.485391 -3.070753 -0.098194
H -0.078412 -2.174907 -1.531979
H 4.862691 -1.449987 -1.061110
H 5.218427 -1.485564 0.667663
H 3.153840 1.545232 2.224578
H 1.573609 0.710162 2.253819
H 3.083987 -0.228754 2.389892
H -1.516286 -2.589093 1.163924
H -2.075449 -3.112341 -0.432430
H -2.059020 2.386739 -0.543661
H -4.236220 -2.013158 0.309098
H -4.504527 2.282423 -0.257248
H 6.847495 1.600857 -0.694691
H -6.518164 1.828893 0.936370
H -7.795643 0.718345 0.310493
H -6.709606 1.580183 -0.844830


