%chk=000245876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245876

0 1
O -5.783333 -0.587379 0.607486
N 3.281606 0.455605 -0.090842
N 5.288248 -0.898095 -0.167102
C -3.311924 -0.401913 0.225645
C -2.483744 0.823984 -0.267815
C -1.020388 0.738167 0.185730
C -0.394729 -0.557177 -0.399874
C -4.765713 0.036394 -0.194984
C -2.734486 -1.650342 -0.460277
C 1.072032 -0.727077 0.117649
C -3.316276 2.042109 0.170520
C -1.245755 -1.812504 -0.106611
C -4.781081 1.580856 0.024173
C -0.226730 1.963013 -0.305298
C -3.270005 -0.584994 1.751826
C 1.858429 0.570280 -0.110470
C 1.747396 -1.852805 -0.700446
C 1.254003 1.763575 -0.284890
C -5.181501 -0.365292 -1.605888
C 1.102199 -1.030095 1.625299
C 3.198780 -2.063127 -0.287199
C 3.991406 -0.779613 -0.188435
C 4.106643 1.702694 -0.102370
C 5.452672 1.480526 0.601068
C 6.168244 0.267191 -0.012388
H -2.485420 0.808375 -1.389244
H -0.967084 0.699753 1.299393
H -0.347151 -0.431334 -1.510575
H -2.850981 -1.582332 -1.557590
H -3.296431 -2.551471 -0.151765
H -3.103984 2.925597 -0.451175
H -3.089629 2.332976 1.209500
H -1.159032 -2.082567 0.965369
H -0.833792 -2.673258 -0.667856
H -5.376767 1.835632 0.914860
H -5.276178 2.092299 -0.816638
H -0.492176 2.843071 0.315572
H -0.530299 2.225840 -1.341919
H -3.588747 0.316288 2.283922
H -3.911851 -1.419179 2.060025
H -2.254777 -0.816031 2.097959
H 1.696413 -1.603764 -1.779768
H 1.187657 -2.800737 -0.581071
H 1.814577 2.681258 -0.444837
H -4.495160 0.021790 -2.363476
H -5.234772 -1.458002 -1.699734
H -6.190107 0.007413 -1.829946
H 0.538275 -0.274637 2.187314
H 0.667390 -2.009379 1.849202
H 2.125310 -1.024151 2.019501
H 3.706738 -2.748120 -1.003109
H 3.255217 -2.583049 0.695102
H -5.690075 -0.367750 1.551483
H 3.550164 2.521418 0.408637
H 4.269967 2.018593 -1.157772
H 5.290916 1.311819 1.684314
H 6.075326 2.389140 0.521863
H 6.601447 0.522735 -1.005794
H 7.018922 -0.053915 0.631346


%chk=000245876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245876

0 1
O -5.902503 -0.657012 0.447800
N 3.316411 0.432385 -0.019443
N 5.351334 -0.864642 -0.377195
C -3.364173 -0.392680 0.244606
C -2.503499 0.814189 -0.232278
C -1.023164 0.737025 0.191071
C -0.395209 -0.601201 -0.310792
C -4.802083 0.043995 -0.254771
C -2.764439 -1.676800 -0.371789
C 1.094870 -0.768002 0.168268
C -3.332782 2.059642 0.176588
C -1.274607 -1.841142 0.032891
C -4.819732 1.596145 0.028623
C -0.224521 1.929910 -0.380074
C -3.406449 -0.519311 1.793841
C 1.883318 0.528880 -0.088749
C 1.780990 -1.887523 -0.673160
C 1.273311 1.728028 -0.341901
C -5.092164 -0.270109 -1.732304
C 1.178257 -1.112871 1.688447
C 3.254765 -2.067815 -0.279952
C 4.046563 -0.769204 -0.238524
C 4.087342 1.699540 0.075908
C 5.510814 1.444258 0.600844
C 6.183599 0.356498 -0.258333
H -2.501021 0.773667 -1.345710
H -0.956639 0.777682 1.297769
H -0.361051 -0.523431 -1.422549
H -2.829850 -1.622306 -1.476453
H -3.339179 -2.570364 -0.057418
H -3.107270 2.937582 -0.454163
H -3.107278 2.346898 1.221869
H -1.215301 -2.056275 1.115946
H -0.870484 -2.734298 -0.480418
H -5.401087 1.804208 0.947402
H -5.334737 2.126033 -0.792169
H -0.491243 2.856194 0.169294
H -0.544947 2.108494 -1.432021
H -3.875363 0.359768 2.276126
H -3.977831 -1.420717 2.083127
H -2.399658 -0.618916 2.230957
H 1.703445 -1.623169 -1.746889
H 1.251412 -2.847821 -0.534371
H 1.875522 2.615064 -0.569406
H -4.334024 0.170755 -2.402767
H -5.128787 -1.359693 -1.900166
H -6.078547 0.145868 -2.001252
H 0.510579 -0.460514 2.278861
H 0.893676 -2.163775 1.879333
H 2.201953 -0.964923 2.072771
H 3.782764 -2.743608 -0.972638
H 3.322041 -2.538093 0.720209
H -5.884046 -0.396812 1.403413
H 3.540872 2.376890 0.756871
H 4.132930 2.192995 -0.918361
H 5.458480 1.100453 1.651543
H 6.084782 2.389310 0.582703
H 6.395972 0.748692 -1.275775
H 7.157564 0.060281 0.172312


