%chk=000185067.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185067

0 1
O -2.768354 2.218590 0.617811
O -0.413873 4.417795 0.646995
O -3.992541 2.676033 -1.864171
O -3.744604 -3.865306 -1.289361
O 0.849251 -1.459901 3.888418
N -1.981325 -0.006545 0.689644
N -0.036303 -1.085834 1.812338
N -1.688086 -2.282173 0.385901
N -4.156494 0.194046 -0.583249
N -4.880374 -1.896479 -1.599134
N -6.014791 0.137701 -2.095170
C -1.727508 1.384828 1.154720
C -0.388725 1.957546 0.672241
C -0.720913 3.248561 -0.094396
C -2.245098 3.156111 -0.367364
C -2.552382 2.670053 -1.786678
C -3.046906 -0.481629 -0.081966
C -1.172224 -1.188589 0.966545
C -2.847546 -1.876024 -0.269344
C -3.791538 -2.685716 -1.065131
C 1.231101 -0.765361 1.181590
C -5.016358 -0.603323 -1.411220
C -0.108239 -1.601505 3.163322
C 1.468082 -1.134194 -0.154849
C 2.202390 -0.055111 1.908154
C -1.400579 -2.230712 3.561637
C 2.667276 -0.769388 -0.764452
C 3.399947 0.297861 1.286289
C 3.638655 -0.045233 -0.053842
C 4.906204 0.342275 -0.709325
C 5.724759 -0.637312 -1.294063
C 5.296233 1.690532 -0.749117
C 6.921892 -0.268218 -1.912539
C 6.493314 2.052733 -1.371997
C 7.307465 1.075663 -1.953924
H -1.878916 1.415718 2.262258
H 0.169137 1.248667 0.023642
H 0.305328 2.154094 1.514079
H -0.103931 3.384755 -1.010895
H -2.804066 4.091762 -0.132964
H -2.174500 1.649145 -1.978744
H -2.155621 3.369861 -2.547110
H -0.858216 4.422949 1.523750
H -4.233290 1.230054 -0.502440
H -4.284319 2.261307 -2.710612
H 0.736199 -1.725920 -0.709489
H 2.040113 0.186486 2.961922
H -1.608689 -3.143999 2.969952
H -2.269932 -1.572227 3.431553
H -1.368943 -2.536982 4.620354
H 2.854139 -1.054574 -1.800821
H 4.162071 0.836394 1.851701
H -6.672605 -0.450563 -2.614036
H -6.499581 0.844875 -1.550548
H 5.429751 -1.685231 -1.256396
H 4.664038 2.453153 -0.298353
H 7.556753 -1.030488 -2.362156
H 6.792940 3.099129 -1.403265
H 8.240231 1.360261 -2.436997


%chk=000185067-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185067

0 1
O -2.886545 2.129405 0.622022
O -0.761679 4.360686 1.243753
O -4.141053 2.645133 -1.849277
O -3.482510 -4.134074 -1.170937
O 0.783497 -1.241071 4.077736
N -1.931980 -0.079180 0.593420
N -0.034984 -1.016264 1.882958
N -1.604933 -2.351868 0.527452
N -4.005998 -0.014261 -0.829784
N -4.729498 -2.190499 -1.630590
N -5.949642 -0.248152 -2.140024
C -1.710973 1.327109 1.013296
C -0.478043 2.017390 0.370537
C -0.957097 3.465539 0.100852
C -2.454701 3.277932 -0.235406
C -2.711102 2.992245 -1.718777
C -2.946052 -0.624775 -0.189445
C -1.147948 -1.197748 1.022376
C -2.734428 -2.019183 -0.234963
C -3.630386 -2.890900 -1.025384
C 1.246793 -0.715984 1.267307
C -4.876005 -0.878547 -1.520747
C -0.178006 -1.339789 3.271188
C 1.466133 -1.109202 -0.077382
C 2.267094 -0.011127 1.956621
C -1.559929 -1.816343 3.698229
C 2.674152 -0.787542 -0.723658
C 3.474264 0.294454 1.296800
C 3.708264 -0.076348 -0.055515
C 4.989094 0.254849 -0.742605
C 5.527133 -0.605990 -1.739878
C 5.710357 1.438718 -0.421510
C 6.737956 -0.294339 -2.393528
C 6.922954 1.750509 -1.072395
C 7.443440 0.886309 -2.063691
H -1.654125 1.325888 2.118107
H -0.204906 1.509240 -0.570269
H 0.405237 2.005783 1.025811
H -0.393576 3.950419 -0.711748
H -3.059984 4.139839 0.090211
H -2.079546 2.155541 -2.083010
H -2.479107 3.904478 -2.303733
H -1.255229 4.012851 2.030675
H -4.122750 1.012766 -0.869879
H -4.366044 2.512850 -2.804646
H 0.700912 -1.686334 -0.605820
H 2.133572 0.256436 3.005182
H -1.773453 -2.808305 3.262549
H -2.366213 -1.137215 3.366409
H -1.568097 -1.887854 4.795535
H 2.808047 -1.085737 -1.769279
H 4.262560 0.804876 1.861014
H -6.599849 -0.869623 -2.617862
H -6.274506 0.666298 -1.830253
H 5.012882 -1.543168 -1.980959
H 5.306336 2.133711 0.323621
H 7.137383 -0.978208 -3.150831
H 7.457652 2.671017 -0.812216
H 8.385064 1.127757 -2.568963


