%chk=000254411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254411

0 1
O -2.796584 1.767823 1.050629
O -3.260450 0.542659 -0.660129
O -0.266773 3.864964 -0.136626
N -1.479334 -1.936922 -0.217861
N 2.888377 -0.264077 -0.581492
N 0.665256 -1.061993 -0.391705
N 1.215388 1.267832 0.153523
N -2.476765 0.968665 0.172757
N -0.703841 3.194577 2.012661
C -0.676880 -0.818504 -0.143008
C -2.821099 -2.038761 0.424277
C -0.884743 -3.250747 -0.628755
C 1.573318 -0.033749 -0.285601
C 3.915442 0.810489 -0.441086
C 3.345364 -1.598997 -1.064822
C -1.105155 0.530965 0.145728
C -0.076464 1.507390 0.324048
C -2.781398 -1.788412 1.927311
C -0.301399 -4.024844 0.549092
C 4.524191 0.807446 0.957330
C 3.254687 -1.690832 -2.585226
C -0.384246 2.971261 0.673878
H -3.533425 -1.344009 -0.089906
H -3.223220 -3.060078 0.224924
H -0.096382 -3.071183 -1.399804
H -1.688943 -3.836369 -1.128867
H 4.695525 0.650107 -1.217832
H 3.447877 1.805454 -0.652256
H 4.391130 -1.756883 -0.718708
H 2.722324 -2.398689 -0.594410
H -2.131662 -2.503924 2.446003
H -2.418040 -0.784826 2.183183
H -3.786552 -1.878564 2.360705
H 0.500500 -3.452654 1.037816
H -1.054158 -4.252823 1.311615
H 0.132575 -4.974733 0.216088
H 5.298192 1.579871 1.046160
H 4.979554 -0.153881 1.216505
H 3.762366 1.028792 1.720014
H 3.608029 -2.665181 -2.941863
H 3.848725 -0.917673 -3.086090
H 2.216357 -1.572759 -2.928771
H -1.136360 2.453846 2.552346
H -1.025800 4.123524 2.261229


%chk=000254411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254411

0 1
O -3.133401 0.959361 1.605252
O -3.323699 0.848764 -0.669474
O -1.810129 3.382931 0.662463
N -1.538350 -1.941439 -0.210016
N 2.803534 -0.199099 -0.386129
N 0.596067 -1.002437 -0.308061
N 1.105252 1.301983 0.270191
N -2.633328 0.824000 0.424229
N 0.463288 3.756960 1.056916
C -0.740244 -0.822038 -0.065409
C -2.889492 -2.113188 0.397489
C -0.942462 -3.158816 -0.828250
C 1.468631 0.034885 -0.139022
C 3.801828 0.885923 -0.264421
C 3.274046 -1.542764 -0.788393
C -1.197453 0.508409 0.299380
C -0.228718 1.522449 0.445631
C -2.877437 -2.193972 1.941529
C -0.348883 -4.157231 0.188830
C 4.388252 1.005026 1.159078
C 3.274967 -1.742938 -2.319590
C -0.616600 2.969236 0.735877
H -3.577799 -1.324739 0.053155
H -3.282909 -3.059873 -0.012738
H -0.151298 -2.831045 -1.519757
H -1.742323 -3.643972 -1.419130
H 4.606807 0.679398 -0.994523
H 3.320483 1.834977 -0.552506
H 4.294660 -1.675142 -0.381958
H 2.616162 -2.291505 -0.317043
H -2.268061 -3.043629 2.295267
H -2.491048 -1.265046 2.392125
H -3.911792 -2.329534 2.306630
H 0.446540 -3.672020 0.779452
H -1.116998 -4.544929 0.881187
H 0.089559 -5.019988 -0.346295
H 5.154935 1.801018 1.194352
H 4.863255 0.059369 1.477932
H 3.592084 1.253429 1.881842
H 3.665507 -2.745072 -2.575929
H 3.907776 -0.990127 -2.824175
H 2.248927 -1.655965 -2.716164
H 1.393884 3.335359 1.015381
H 0.321485 4.746629 1.247801


