%chk=000213885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213885

0 1
O -0.760485 1.580662 1.992067
N -2.695388 -0.549110 0.296405
N 0.216065 0.640636 0.146867
C -3.619458 0.627072 0.440301
C -3.459944 -1.842409 0.332542
C -4.633700 0.630074 -0.714026
C -4.469883 -1.874234 -0.826697
C -5.429673 -0.680055 -0.755412
C -1.661089 -0.542185 1.377898
C -0.718420 0.651453 1.202312
C 0.223356 -0.469451 -0.847077
C 1.212033 1.679033 0.003053
C 0.943466 -1.695411 -0.334804
C 1.756633 2.302937 1.136670
C 1.647227 2.053885 -1.284257
C 2.732313 3.299155 0.987204
C 0.351441 -2.956987 -0.497903
C 2.204082 -1.592915 0.270487
C 2.623180 3.040880 -1.418080
C 3.171606 3.664111 -0.294826
C 3.294103 3.962231 2.202868
C 1.016711 -4.104593 -0.058035
C 2.862868 -2.742937 0.713086
C 2.271795 -4.000047 0.549709
H -3.003873 1.554228 0.401528
H -4.149896 0.638703 1.416536
H -3.987622 -2.001566 1.297628
H -2.733072 -2.675178 0.217480
H -4.098951 0.773429 -1.674292
H -5.314194 1.494430 -0.605074
H -5.032176 -2.825299 -0.802263
H -3.925369 -1.855577 -1.791818
H -6.075357 -0.762039 0.139373
H -6.110338 -0.685445 -1.626677
H -2.088391 -0.471557 2.406330
H -1.081066 -1.493124 1.343956
H 0.712966 -0.130680 -1.793576
H -0.833832 -0.704964 -1.135703
H 1.399465 2.040388 2.135233
H 1.221391 1.587856 -2.170498
H -0.625059 -3.045029 -0.971735
H 2.669735 -0.614629 0.398336
H 2.958149 3.331352 -2.413829
H 3.929642 4.432611 -0.415864
H 4.061435 4.709582 1.966636
H 2.502709 4.477153 2.769330
H 3.750226 3.229708 2.883882
H 0.556314 -5.082218 -0.189754
H 3.840847 -2.658516 1.184868
H 2.787981 -4.894113 0.893216


%chk=000213885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213885

0 1
O -0.726808 1.586422 2.161105
N -2.702431 -0.562744 0.323073
N 0.182116 0.640632 0.215950
C -3.574024 0.645576 0.318497
C -3.506341 -1.814949 0.379081
C -4.534641 0.624609 -0.886883
C -4.465058 -1.908382 -0.824599
C -5.384187 -0.666747 -0.890995
C -1.698861 -0.521099 1.420428
C -0.709563 0.654443 1.299305
C 0.197683 -0.500537 -0.742961
C 1.125438 1.725926 0.022722
C 0.935224 -1.740664 -0.232817
C 1.887187 2.220463 1.108418
C 1.292993 2.292630 -1.266119
C 2.817897 3.273128 0.927615
C 0.472150 -3.027652 -0.606441
C 2.097215 -1.639734 0.573253
C 2.228745 3.330690 -1.456081
C 2.988245 3.819623 -0.369246
C 3.603858 3.806478 2.113260
C 1.159149 -4.191785 -0.193006
C 2.782821 -2.802060 0.991583
C 2.318267 -4.082368 0.609118
H -2.931389 1.543159 0.283472
H -4.166766 0.704713 1.268087
H -4.102348 -1.864904 1.328009
H -2.808979 -2.674507 0.383448
H -3.940282 0.681264 -1.819742
H -5.184243 1.519987 -0.850665
H -5.064543 -2.835591 -0.744365
H -3.867370 -1.975480 -1.754879
H -6.060285 -0.663842 -0.010889
H -6.026446 -0.707594 -1.790974
H -2.174091 -0.396869 2.420566
H -1.145675 -1.479216 1.420478
H 0.691494 -0.150274 -1.665621
H -0.848672 -0.754495 -0.992644
H 1.734204 1.797780 2.105429
H 0.681803 1.947511 -2.107128
H -0.430043 -3.117817 -1.225633
H 2.465004 -0.651667 0.870423
H 2.356343 3.767318 -2.452964
H 3.708944 4.630833 -0.525652
H 4.390320 4.511822 1.793986
H 2.938926 4.339543 2.819093
H 4.087595 2.989466 2.679591
H 0.788357 -5.179400 -0.490323
H 3.680335 -2.709545 1.613829
H 2.851234 -4.982796 0.934405


