%chk=000254704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254704

0 1
O 1.249494 -2.365644 -1.565268
N 2.420585 1.130702 2.072106
N -1.957933 3.265814 -1.108089
C -0.535588 -1.270357 -0.389901
C 0.035294 0.147064 -0.661403
C -1.647804 -1.659546 -1.382165
C 1.158659 0.454807 0.284448
C -0.990112 1.238841 -0.642575
C -2.422141 -2.917377 -0.962457
C 0.591968 -2.294266 -0.547137
C -1.602660 -4.213765 -1.054381
C 0.855919 -3.229467 0.613866
C -1.161406 -4.792584 0.297648
C -0.417654 -3.819382 1.222509
C 2.558860 0.314456 -0.062633
C -2.255957 1.307034 0.052362
C 1.101406 0.946060 1.583198
C -0.831082 2.439325 -1.332024
C 3.328566 0.755251 1.064448
C -2.844794 2.582522 -0.257937
C -0.051419 1.274160 2.446144
C 0.288794 2.891738 -2.182896
C 3.234796 -0.153051 -1.203427
C -2.959062 0.440331 0.909633
C 4.735493 0.762584 1.058399
C -4.091588 2.983809 0.257475
C 4.620973 -0.145129 -1.209596
C -4.184878 0.836652 1.418860
C 5.363006 0.312432 -0.092302
C -4.747222 2.096797 1.094478
H -0.944126 -1.295141 0.650572
H 0.468814 0.115092 -1.705530
H -1.210542 -1.799167 -2.392256
H -2.359666 -0.814787 -1.486884
H -3.313682 -3.008201 -1.615435
H -2.826634 -2.789808 0.059404
H -0.714474 -4.060589 -1.701624
H -2.201476 -4.983495 -1.581435
H 1.534452 -4.041421 0.276686
H 1.428609 -2.669204 1.383361
H -0.519347 -5.676398 0.106469
H -2.050283 -5.177894 0.836404
H -0.151388 -4.351053 2.158679
H -1.100624 -2.999037 1.527227
H 2.664349 1.493559 2.971786
H -2.102754 4.176623 -1.495715
H 0.227535 1.627433 3.445655
H -0.673246 2.061854 1.980200
H -0.712238 0.402636 2.576089
H 0.235116 2.441481 -3.186974
H 0.333000 3.980505 -2.309104
H 1.256644 2.580118 -1.745877
H 2.665067 -0.542612 -2.050107
H -2.532847 -0.532136 1.158376
H 5.297806 1.104383 1.919172
H -4.515742 3.949057 0.003974
H 5.160573 -0.505477 -2.082932
H -4.739069 0.174627 2.080545
H 6.450355 0.300270 -0.146543
H -5.714995 2.362468 1.516630


%chk=000254704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254704

0 1
O 1.280281 -2.381568 -1.472361
N 2.507160 0.956205 2.143840
N -1.848507 3.267906 -1.234730
C -0.571881 -1.330935 -0.293328
C 0.024277 0.091877 -0.579373
C -1.715252 -1.708920 -1.286062
C 1.204211 0.404573 0.348128
C -1.001439 1.225561 -0.640760
C -2.496371 -3.007167 -0.952626
C 0.559218 -2.370786 -0.435104
C -1.679759 -4.331410 -1.057461
C 0.787931 -3.368260 0.696792
C -1.238664 -4.961519 0.292086
C -0.490289 -4.028181 1.274990
C 2.597331 0.465985 -0.076768
C -2.289742 1.410844 0.020877
C 1.185570 0.708357 1.718861
C -0.770847 2.382677 -1.399857
C 3.391070 0.823372 1.069567
C -2.794252 2.705583 -0.375356
C 0.062932 0.783136 2.716848
C 0.395706 2.736396 -2.280513
C 3.254123 0.245399 -1.317499
C -3.098430 0.631795 0.900192
C 4.792191 0.985291 1.006492
C -4.028422 3.222971 0.071695
C 4.651178 0.406617 -1.389726
C -4.331521 1.140811 1.350575
C 5.413882 0.776685 -0.242190
C -4.796277 2.425454 0.943973
H -0.959400 -1.361237 0.741712
H 0.458896 0.005271 -1.596147
H -1.266255 -1.800095 -2.295888
H -2.429316 -0.867564 -1.326111
H -3.352201 -3.057752 -1.653749
H -2.945786 -2.919698 0.059018
H -0.795306 -4.164287 -1.701793
H -2.288207 -5.092150 -1.585230
H 1.504497 -4.132255 0.343079
H 1.289941 -2.797727 1.508462
H -0.597584 -5.840169 0.072840
H -2.136705 -5.353474 0.812642
H -0.200837 -4.615786 2.168611
H -1.181779 -3.244472 1.642520
H 2.764005 1.216159 3.093974
H -1.921198 4.179994 -1.680641
H 0.270616 1.537132 3.499594
H -0.880853 1.067475 2.228632
H -0.101612 -0.185713 3.230197
H 0.447429 2.079632 -3.169992
H 0.331809 3.779136 -2.639892
H 1.351078 2.621627 -1.738729
H 2.686358 -0.080949 -2.195492
H -2.776292 -0.362156 1.226563
H 5.380673 1.259201 1.889898
H -4.383309 4.209793 -0.247629
H 5.167419 0.231709 -2.340323
H -4.949528 0.537279 2.025025
H 6.500235 0.891241 -0.330675
H -5.760498 2.794584 1.310518


