%chk=000236587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236587

0 1
O 0.101358 2.113977 -1.279313
N 3.562687 0.038347 -0.084842
N -3.430690 -0.311107 0.032799
C 1.153164 0.552985 0.216544
C -1.393348 1.089252 0.271663
C 1.177761 0.684284 1.748841
C -1.314817 1.123458 1.805911
C -0.164625 0.278360 2.364330
C -0.021205 1.339093 -0.354725
C 2.482467 1.025701 -0.411574
C -1.961142 -0.245770 -0.263370
C 3.522431 -1.126598 -1.030842
C 4.908729 0.702953 -0.112148
C -4.207282 0.542599 -0.927450
C -3.909822 -1.733547 -0.007210
C 4.586592 -2.161974 -0.630834
C 5.996128 -0.304099 0.299116
C -5.698199 0.521914 -0.554089
C -5.398068 -1.790302 0.377721
C 5.985935 -1.534186 -0.616780
C -6.244435 -0.911290 -0.551338
H 0.992471 -0.525618 -0.044062
H -2.074011 1.919625 -0.060062
H 1.433855 1.721274 2.037562
H 1.998826 0.051778 2.146156
H -2.283356 0.766950 2.217517
H -1.207878 2.172684 2.142139
H -0.359569 -0.795673 2.179602
H -0.121154 0.388483 3.464797
H 2.747069 2.022774 0.002393
H 2.341234 1.184623 -1.504816
H -1.452769 -1.090371 0.251458
H -1.733996 -0.345695 -1.347312
H 3.668887 -0.823865 -2.090297
H 2.512091 -1.584890 -0.960707
H 4.887295 1.541433 0.617452
H 5.152785 1.138471 -1.104852
H -4.076387 0.227582 -1.985039
H -3.815474 1.581983 -0.848454
H -3.315956 -2.313488 0.732036
H -3.757974 -2.211192 -0.998778
H 4.552829 -3.019162 -1.326654
H 4.349149 -2.562190 0.375205
H 5.824102 -0.620392 1.347583
H 6.985129 0.187632 0.277531
H -6.267279 1.153315 -1.259828
H -5.831580 0.972918 0.449774
H -5.518130 -1.446101 1.424830
H -5.749795 -2.837082 0.348687
H 6.732302 -2.272924 -0.271674
H 6.286226 -1.248579 -1.642497
H -7.300226 -0.916468 -0.223651
H -6.238432 -1.323787 -1.577746


%chk=000236587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236587

0 1
O 0.198748 2.444388 -1.147384
N 3.612910 0.085188 -0.087876
N -3.432115 -0.250645 -0.113243
C 1.139526 0.558916 0.107427
C -1.387658 1.194609 0.224504
C 1.157771 0.494579 1.665114
C -1.338509 1.011439 1.769398
C -0.211741 0.054786 2.225352
C 0.005221 1.484334 -0.349124
C 2.496757 0.975550 -0.498622
C -2.013462 -0.049188 -0.488218
C 3.549109 -1.249399 -0.737536
C 4.934066 0.727018 -0.317932
C -4.354271 0.665209 -0.833453
C -3.867251 -1.665815 -0.245116
C 4.655111 -2.184862 -0.206997
C 6.083214 -0.143013 0.229710
C -5.793798 0.544282 -0.294082
C -5.290399 -1.862394 0.316449
C 6.050668 -1.552236 -0.404874
C -6.291987 -0.916333 -0.384718
H 0.870549 -0.461092 -0.248219
H -2.009186 2.075826 -0.022442
H 1.419161 1.497830 2.060941
H 1.970121 -0.188588 1.970762
H -2.330406 0.644580 2.094170
H -1.177768 2.001776 2.240562
H -0.430466 -0.981334 1.894671
H -0.176578 0.026533 3.331463
H 2.729511 2.000600 -0.154167
H 2.398290 1.036340 -1.610581
H -1.455434 -0.957825 -0.194288
H -1.889349 0.067588 -1.594382
H 3.649375 -1.154211 -1.852908
H 2.558939 -1.699375 -0.538587
H 4.930116 1.712418 0.184470
H 5.107109 0.912891 -1.412238
H -4.353295 0.440896 -1.933918
H -3.994451 1.702839 -0.714517
H -3.151333 -2.302877 0.307761
H -3.850461 -1.996906 -1.318052
H 4.590802 -3.160681 -0.726323
H 4.481177 -2.365772 0.871633
H 5.971710 -0.229101 1.328110
H 7.050635 0.355986 0.027387
H -6.457564 1.219259 -0.868038
H -5.809006 0.876995 0.761770
H -5.275833 -1.646862 1.402535
H -5.593382 -2.919408 0.186926
H 6.836048 -2.196140 0.034342
H 6.266601 -1.470866 -1.490548
H -7.297887 -1.013156 0.065711
H -6.385752 -1.206481 -1.452078


