%chk=000243812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243812

0 1
O 5.216637 3.193996 -0.011346
N -5.534745 -0.416899 -0.035907
N 1.936283 -0.437417 -0.014825
N 4.045377 -2.238244 0.013222
C -1.795212 0.436665 0.009991
C -3.066687 -0.419962 0.038812
C -0.537756 -0.442037 0.007238
C -4.326720 0.461258 0.050251
C -6.800087 0.380929 0.009848
C -8.001994 -0.577235 0.029332
C 0.729766 0.423881 -0.029342
C -9.324857 0.196619 -0.017437
C -10.530003 -0.754494 0.002679
C 3.217863 0.065806 -0.008485
C 4.332625 -0.882765 0.007507
C -11.851872 0.008343 -0.045113
C 5.669013 -0.387269 0.016560
C 3.492056 1.438551 -0.015669
C 4.835267 1.871541 -0.006032
C 5.920219 1.001396 0.010133
C 6.728746 -1.359513 0.032157
C 6.430426 -2.695229 0.037551
C 5.053775 -3.102320 0.027563
C 4.188932 4.212605 -0.031232
H -1.802858 1.088189 -0.886390
H -1.779069 1.118023 0.883160
H -3.098435 -1.092050 -0.844085
H -3.057735 -1.087985 0.921158
H -0.531061 -1.093872 0.904248
H -0.559557 -1.127057 -0.864827
H -4.326720 1.120935 0.944685
H -4.328926 1.129373 -0.840034
H -6.834944 1.011244 -0.906879
H -6.848886 1.074594 0.876797
H -7.933208 -1.270819 -0.833947
H -7.968534 -1.218295 0.930600
H 0.737990 1.060853 -0.945120
H 0.753885 1.112804 0.847639
H -5.525134 -1.093532 0.735160
H -9.362538 0.826856 -0.927205
H -9.387028 0.897162 0.837295
H -10.470940 -1.453933 -0.854539
H -10.496085 -1.387113 0.911188
H 1.797982 -1.449163 -0.015100
H -12.705629 -0.678586 -0.031311
H -11.960645 0.683504 0.811139
H -11.935269 0.615486 -0.953776
H 2.689505 2.161431 -0.029381
H 6.933283 1.386672 0.017021
H 7.758425 -1.004320 0.039225
H 7.207083 -3.456271 0.049077
H 4.800994 -4.167412 0.031564
H 4.786846 5.133402 -0.032562
H 3.572221 4.146950 0.869416
H 3.592039 4.131625 -0.943969


%chk=000243812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243812

0 1
O 5.408342 3.233502 -0.023465
N -5.556802 -0.364124 0.025058
N 1.978358 -0.333115 0.007940
N 3.940322 -2.188900 0.024877
C -1.780631 0.502589 0.012301
C -3.065705 -0.354691 0.015151
C -0.493868 -0.350888 0.010879
C -4.352506 0.493394 0.021493
C -6.842011 0.368754 0.004775
C -8.038979 -0.601567 0.004357
C 0.785125 0.509021 -0.000751
C -9.403606 0.122721 -0.013900
C -10.606449 -0.848091 -0.007742
C 3.273015 0.134899 0.003914
C 4.330450 -0.864212 0.013999
C -11.968074 -0.120486 -0.030654
C 5.712132 -0.440741 0.011820
C 3.619041 1.504314 -0.008744
C 4.995235 1.889134 -0.010851
C 6.034585 0.946187 -0.000459
C 6.697463 -1.486501 0.022279
C 6.295985 -2.824720 0.033375
C 4.899573 -3.136914 0.034124
C 4.380939 4.274902 -0.038624
H -1.784591 1.164536 -0.878595
H -1.779166 1.169881 0.899305
H -3.085368 -1.017228 -0.871634
H -3.059343 -1.018463 0.906201
H -0.483484 -1.005807 0.905857
H -0.493315 -1.017482 -0.875170
H -4.321468 1.203361 0.889587
H -4.383815 1.119273 -0.893466
H -6.868126 0.984087 -0.917458
H -6.946700 1.081991 0.864122
H -7.950466 -1.270682 -0.873615
H -7.984678 -1.252273 0.903882
H 0.780909 1.164070 -0.900747
H 0.783472 1.184479 0.884038
H -5.529039 -1.039551 0.803527
H -9.463976 0.771567 -0.912808
H -9.477092 0.799524 0.863325
H -10.532210 -1.525001 -0.883137
H -10.546970 -1.495684 0.891003
H 1.900691 -1.356789 0.015130
H -12.810471 -0.836511 -0.025590
H -12.080144 0.539449 0.850452
H -12.065645 0.509464 -0.935047
H 2.830745 2.260711 -0.017267
H 7.072960 1.289432 -0.002530
H 7.760654 -1.219603 0.021206
H 7.030783 -3.636205 0.041301
H 4.560356 -4.179105 0.042493
H 4.937702 5.223779 -0.048350
H 3.742443 4.229394 0.865258
H 3.747521 4.207816 -0.944720


