%chk=000179690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179690

0 1
O -1.921116 -0.333022 -0.203040
O -6.376124 1.126194 -0.853245
O -7.800342 -1.786396 1.667266
N 8.984416 -0.101202 1.357412
N 8.024701 0.979620 -0.395418
N 9.076311 1.254659 1.465010
N 8.493284 1.886463 0.400139
C 2.889684 -1.022838 -0.289019
C 4.087857 -1.837014 0.217543
C 1.571089 -1.542889 0.299117
C 5.403809 -1.310661 -0.369431
C 0.379918 -0.723957 -0.209198
C 6.604719 -2.117808 0.138222
C -0.929068 -1.245319 0.377507
C 7.935989 -1.594497 -0.425808
C -4.103984 0.397329 -0.530065
C -3.238426 -0.518006 0.105120
C -3.577118 1.466476 -1.440281
C -3.170664 2.723525 -0.653433
C -5.481732 0.272595 -0.264227
C 8.317487 -0.295880 0.180521
C -3.724422 -1.518834 0.969057
C -6.006300 -0.715543 0.594151
C -5.091740 -1.600609 1.199545
C -2.726546 3.850781 -1.579894
C -7.445088 -0.898428 0.913444
C -8.438679 0.031110 0.288887
H 2.850583 -1.058725 -1.395335
H 3.024388 0.045667 -0.028973
H 3.956865 -2.904491 -0.045235
H 4.127499 -1.800255 1.323625
H 1.613930 -1.504912 1.405474
H 1.438550 -2.610632 0.035520
H 5.366499 -1.343003 -1.475854
H 5.532680 -0.239395 -0.113181
H 0.329032 -0.750795 -1.316982
H 0.502085 0.348422 0.048312
H 6.635337 -2.102279 1.246311
H 6.490463 -3.183047 -0.145051
H -1.167643 -2.272553 0.055729
H -0.975213 -1.156923 1.475648
H 8.740547 -2.341270 -0.240400
H 7.867829 -1.483793 -1.532210
H -2.700375 1.077524 -2.003211
H -4.336701 1.724461 -2.210534
H -4.009241 3.061776 -0.014879
H -2.350886 2.461713 0.046885
H -3.054984 -2.219420 1.454603
H -5.491475 -2.372652 1.871306
H -1.872051 3.552169 -2.198807
H -3.527773 4.165899 -2.256865
H -2.418268 4.733315 -1.006629
H -5.913128 1.782831 -1.458373
H -8.399841 -0.017979 -0.809898
H -8.230047 1.079278 0.551617
H -9.462957 -0.204727 0.606504
H 9.531683 1.713443 2.249999


%chk=000179690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179690

0 1
O -1.929075 -0.192937 -0.312104
O -6.531514 1.155609 -0.826721
O -7.721555 -1.946495 1.839716
N 9.380093 -0.348768 1.376437
N 8.133778 0.820959 -0.160708
N 9.446344 1.007984 1.554621
N 8.707327 1.750913 0.644209
C 2.996263 -0.989843 -0.297223
C 4.179292 -1.849467 0.201408
C 1.626508 -1.473040 0.230463
C 5.546610 -1.351355 -0.318311
C 0.453550 -0.608818 -0.287363
C 6.722017 -2.226808 0.168885
C -0.895044 -1.084326 0.255887
C 8.118413 -1.740613 -0.319069
C -4.207631 0.456356 -0.575662
C -3.267839 -0.421701 0.030117
C -3.739385 1.562662 -1.508023
C -3.558924 2.933010 -0.790893
C -5.582251 0.287664 -0.255939
C 8.545670 -0.440689 0.291506
C -3.688405 -1.446829 0.917825
C -6.042122 -0.732266 0.632900
C -5.054083 -1.582447 1.199852
C -3.107879 4.045890 -1.759412
C -7.467967 -0.999963 1.028863
C -8.609053 -0.161134 0.475710
H 2.983087 -0.992805 -1.406859
H 3.155815 0.064679 0.008558
H 4.025190 -2.903636 -0.111779
H 4.188144 -1.852715 1.311710
H 1.638654 -1.460735 1.340436
H 1.471523 -2.530489 -0.069657
H 5.537437 -1.338852 -1.428032
H 5.704401 -0.301202 -0.004371
H 0.424854 -0.636144 -1.393626
H 0.605439 0.447878 0.005255
H 6.722598 -2.274769 1.276341
H 6.579947 -3.264944 -0.192442
H -1.104161 -2.130507 -0.048501
H -0.923237 -1.022023 1.363160
H 8.880348 -2.501105 -0.072649
H 8.097057 -1.624827 -1.418392
H -2.770492 1.270830 -1.947773
H -4.431525 1.687492 -2.371955
H -4.501301 3.228813 -0.287190
H -2.807539 2.805417 0.010835
H -2.968295 -2.125349 1.381295
H -5.414974 -2.360580 1.880704
H -2.149411 3.782983 -2.244771
H -3.854105 4.212071 -2.560119
H -2.965411 5.004726 -1.228959
H -6.082278 1.792982 -1.437655
H -8.628589 -0.198851 -0.627761
H -8.477627 0.903910 0.736654
H -9.556665 -0.540932 0.888743
H 10.003284 1.440635 2.290824


