%chk=000197626.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197626

0 1
O -3.270779 0.675419 0.001542
O -2.434969 -1.427897 -0.001445
N 1.250458 0.888161 0.001710
N 2.249122 -1.730457 -0.001825
N -0.804618 1.837642 0.003179
C 0.751209 -1.616526 -0.001688
C 0.330626 -0.163168 0.000340
C 2.662943 0.685856 0.001205
C 0.225122 -2.305732 1.264699
C 0.225026 -2.302161 -1.269973
C 3.133226 -0.662638 -0.000713
C -0.942422 0.445433 0.001231
C 0.513254 2.100220 0.003481
C 3.568059 1.756488 0.002504
C 4.532956 -0.890702 -0.001319
C -4.699732 0.236524 0.001080
C -2.254719 -0.219087 0.000272
C 4.937778 1.506483 0.001905
C 5.411273 0.184883 -0.000007
C -4.958500 -0.561413 1.271256
C -5.386441 1.599549 0.002669
C -4.958478 -0.558340 -1.270997
H 2.620549 -2.674963 -0.003367
H -0.881145 -2.300361 1.268175
H 0.532397 -3.353562 1.327705
H 0.558555 -1.799910 2.177418
H 0.532249 -3.349823 -1.335934
H -0.881242 -2.296740 -1.273345
H 0.558395 -1.793793 -2.181297
H 0.970228 3.077127 0.004818
H 3.201765 2.783130 0.003979
H 4.915206 -1.907990 -0.002795
H 5.641797 2.334962 0.002916
H 6.486915 0.001327 -0.000472
H -4.634408 -0.012108 2.163183
H -6.020648 -0.796583 1.389389
H -4.405535 -1.514047 1.261170
H -5.090458 2.192762 -0.873294
H -5.093715 2.189257 0.882044
H -6.475243 1.500373 0.000440
H -4.404598 -1.510467 -1.263687
H -6.020460 -0.794311 -1.389047
H -4.635501 -0.006418 -2.161703


%chk=000197626-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197626

0 1
O -3.274594 0.710409 0.002094
O -2.451233 -1.484364 -0.001963
N 1.263019 0.843809 0.001646
N 2.289568 -1.718306 -0.001251
N -0.785908 1.813978 0.003342
C 0.795872 -1.673154 -0.000617
C 0.342476 -0.215068 0.000949
C 2.685350 0.686555 0.000831
C 0.286111 -2.404905 1.275087
C 0.284948 -2.402429 -1.277277
C 3.175104 -0.652787 -0.000704
C -0.929753 0.409451 0.001692
C 0.529707 2.040715 0.003314
C 3.570960 1.782660 0.001434
C 4.585183 -0.853174 -0.001561
C -4.743692 0.291093 0.000647
C -2.262046 -0.230820 0.000714
C 4.965714 1.570213 0.000560
C 5.465517 0.245016 -0.000931
C -5.050590 -0.509603 1.282269
C -5.453036 1.656111 0.004425
C -5.050062 -0.502209 -1.285685
H 2.683559 -2.659725 -0.002333
H -0.814986 -2.431505 1.282352
H 0.661071 -3.446625 1.277851
H 0.653020 -1.897724 2.183992
H 0.659687 -3.444216 -1.282282
H -0.816167 -2.428782 -1.283699
H 0.651218 -1.893633 -2.185538
H 0.993349 3.022156 0.004283
H 3.181717 2.805669 0.002565
H 4.979188 -1.876577 -0.002713
H 5.649760 2.423830 0.001027
H 6.546358 0.067094 -0.001611
H -4.742188 0.062261 2.175383
H -6.139557 -0.689167 1.347536
H -4.530035 -1.479750 1.278370
H -5.169932 2.241077 -0.887134
H -5.170741 2.235796 0.899687
H -6.548642 1.512085 0.003506
H -4.528686 -1.471913 -1.287530
H -6.138872 -0.682364 -1.351918
H -4.742239 0.075224 -2.175406


