%chk=000206623.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206623

0 1
O -1.505258 -1.228073 1.600461
O 1.261543 -2.020598 -1.753270
O -7.645566 2.529340 -0.562709
N 6.792282 0.795754 0.070425
N -1.136557 -0.143039 -0.377895
N -7.573139 0.311029 0.071129
N 0.616416 -2.628315 0.344030
N 0.970074 -3.992302 0.185842
C 5.398042 0.758345 0.042131
C 7.536528 1.400251 1.204253
C 7.613768 0.124854 -0.967881
C 4.708588 0.092105 -1.006582
C 4.632920 1.406171 1.051008
C 2.565417 0.707875 -0.032250
C 7.815805 2.883608 0.957597
C 7.855447 -1.350051 -0.644428
C 3.321554 0.070361 -1.033507
C 3.246993 1.380595 1.000694
C 1.104031 0.724842 -0.045943
C 0.297247 -0.309004 -0.343285
C -3.416950 -0.324987 0.468594
C -1.965369 -0.611976 0.650373
C -6.163316 0.139144 0.199609
C -3.885057 0.949601 0.119354
C -4.330820 -1.364767 0.705125
C 0.766157 -1.699892 -0.679767
C -5.250009 1.187759 -0.018963
C -5.697658 -1.144630 0.566141
C -8.242270 1.507025 -0.302993
C -9.737214 1.368747 -0.342499
H 6.958116 1.270758 2.149079
H 8.492009 0.847893 1.350268
H 7.109033 0.222345 -1.958180
H 8.583152 0.664511 -1.060353
H 5.260228 -0.409491 -1.797433
H 5.127148 1.926464 1.866339
H 8.337186 3.335012 1.808210
H 6.886189 3.446297 0.798405
H 8.433558 3.038669 0.065538
H 8.431988 -1.839568 -1.436702
H 6.909248 -1.898013 -0.537017
H 8.403798 -1.479129 0.295336
H 2.807946 -0.450721 -1.851533
H 2.676296 1.882692 1.783572
H 0.657725 1.691530 0.226917
H -1.512954 0.300134 -1.213508
H -3.182094 1.770502 -0.035004
H -3.960789 -2.349542 1.005073
H -5.608585 2.187337 -0.292577
H -6.393419 -1.960426 0.747198
H -8.139550 -0.516368 0.274341
H 0.093587 -2.432181 1.218618
H -10.192208 2.330509 -0.639393
H -10.075187 0.621784 -1.073533
H -10.164749 1.107038 0.635014
H 1.996619 -4.067364 0.129281
H 0.621483 -4.343044 -0.718954


%chk=000206623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206623

0 1
O -1.820284 -2.354561 0.998156
O 1.573620 -2.320168 -2.070341
O -7.315467 2.947998 -0.334247
N 6.844786 1.053730 0.263260
N -1.095356 -0.625847 -0.398486
N -7.474726 0.714845 0.377550
N 0.145394 -3.357423 -0.568975
N 0.310751 -4.620281 -1.212951
C 5.472678 0.804851 0.164099
C 7.382517 2.084909 1.173311
C 7.830639 0.293123 -0.531945
C 4.957448 -0.261867 -0.645785
C 4.510077 1.612194 0.856457
C 2.624529 0.267113 -0.037380
C 7.430251 3.499985 0.549171
C 8.264915 -1.036713 0.129213
C 3.583824 -0.519039 -0.746975
C 3.139247 1.345062 0.747480
C 1.172939 0.087904 -0.049072
C 0.332064 -0.925642 -0.459670
C -3.443836 -0.689672 0.323124
C -2.064429 -1.280641 0.342216
C -6.117227 0.296412 0.348745
C -3.731618 0.652841 -0.037504
C -4.518632 -1.526787 0.721247
C 0.744835 -2.235321 -1.091076
C -5.047905 1.153077 -0.030647
C -5.835938 -1.045585 0.730537
C -8.013704 1.965213 0.049376
C -9.531313 2.058897 0.187469
H 6.790091 2.098631 2.107015
H 8.404736 1.777211 1.464181
H 7.423519 0.102439 -1.541835
H 8.717546 0.938743 -0.675756
H 5.639878 -0.903798 -1.210378
H 4.831064 2.460753 1.467049
H 7.850948 4.227631 1.268117
H 6.421063 3.840312 0.259440
H 8.062395 3.507896 -0.357250
H 9.007384 -1.559656 -0.502024
H 7.400293 -1.706430 0.276467
H 8.723016 -0.852364 1.117896
H 3.231050 -1.319403 -1.404167
H 2.435445 1.986587 1.294531
H 0.635292 0.933688 0.410552
H -1.403409 0.161773 -0.973455
H -2.926582 1.350994 -0.298287
H -4.288965 -2.553268 1.022924
H -5.263651 2.187181 -0.303177
H -6.654767 -1.710627 1.034056
H -8.143787 0.001637 0.676320
H -0.597901 -3.262623 0.155382
H -9.963977 2.317964 -0.794355
H -10.009742 1.133650 0.552838
H -9.776928 2.883338 0.878459
H 0.939873 -5.222382 -0.660191
H 0.715439 -4.441085 -2.146912


