%chk=000231790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231790

0 1
N -1.514589 1.122489 0.816213
N -3.874464 3.857280 0.367197
N 5.867602 0.203801 -0.524180
N 2.556568 0.016688 -1.372827
N 0.530136 0.600518 -0.248037
N 1.069551 -1.727962 -0.891933
N -2.384236 -1.575738 0.476023
N -0.525524 -3.468831 -0.569583
C -1.599682 3.267250 -0.483876
C -1.220755 2.575413 0.835106
C -3.109676 3.245172 -0.770601
C 3.820391 1.335604 0.363468
C 4.857954 0.222564 0.586169
C 3.186330 1.315967 -1.037747
C -0.701053 0.207279 0.198262
C -1.123822 -1.184189 0.077389
C 1.359002 -0.376270 -0.797079
C -0.170336 -2.113867 -0.470517
C -3.737924 5.344474 0.371650
C -5.317058 3.475665 0.284943
C 6.590906 -1.103668 -0.543840
C 6.841459 1.327584 -0.387747
C -2.703419 -2.859246 0.360651
C -1.739629 -3.830421 -0.170074
C -4.067169 -3.294883 0.784643
C -2.101118 -5.273715 -0.278788
H -1.230255 4.310824 -0.454342
H -1.063223 2.780845 -1.325745
H -0.135910 2.731042 1.041415
H -1.798335 3.019351 1.681200
H -3.442618 2.190068 -0.890070
H -3.306426 3.743395 -1.744376
H 4.281637 2.328057 0.528426
H 3.023428 1.238324 1.130005
H 4.336760 -0.761500 0.603975
H 5.317574 0.344666 1.590503
H 2.424512 2.125757 -1.116875
H 3.967193 1.501959 -1.813656
H -2.472768 0.846669 1.045478
H 3.210971 -0.732672 -1.627556
H -4.138047 5.849279 -0.519622
H -4.253517 5.747693 1.257875
H -2.672860 5.608688 0.468953
H -5.849907 3.901519 1.150385
H -5.832762 3.801454 -0.629884
H -5.404436 2.380039 0.362251
H 5.864971 -1.914519 -0.719842
H 7.155694 -1.336952 0.370089
H 7.291880 -1.112301 -1.393974
H 6.295329 2.283581 -0.415189
H 7.521187 1.317908 -1.254849
H 7.450421 1.304316 0.527622
H -4.014505 -4.039545 1.591015
H -4.665297 -2.450020 1.162380
H -4.622865 -3.737313 -0.053573
H -2.968253 -5.420010 -0.938187
H -1.270618 -5.871227 -0.696024
H -2.344801 -5.699733 0.704704


%chk=000231790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231790

0 1
N -1.365994 1.516206 0.459993
N -3.974701 3.116647 0.411455
N 5.910539 -0.141708 -0.370605
N 2.799974 0.023027 -1.173636
N 0.740956 0.813385 -0.359232
N 1.149783 -1.579924 -0.859130
N -2.355017 -1.079690 0.286959
N -0.593065 -3.170489 -0.558615
C -1.739045 3.761250 -0.598266
C -1.045233 2.943104 0.525450
C -3.203969 3.326334 -0.842309
C 4.158641 1.577207 0.267878
C 5.034384 0.383248 0.709024
C 3.446363 1.334299 -1.088833
C -0.533469 0.537225 0.008956
C -1.053587 -0.827330 -0.057801
C 1.515516 -0.259812 -0.780388
C -0.143844 -1.855171 -0.497891
C -4.208715 4.368577 1.161901
C -5.236439 2.382255 0.167346
C 6.500583 -1.449541 -0.010231
C 6.948689 0.821127 -0.794138
C -2.786629 -2.363809 0.215028
C -1.878712 -3.413366 -0.208497
C -4.223614 -2.651227 0.584054
C -2.343371 -4.851402 -0.277046
H -1.679543 4.835705 -0.336165
H -1.187668 3.633926 -1.549216
H 0.050110 3.050474 0.456977
H -1.375767 3.319441 1.510963
H -3.197320 2.360606 -1.381512
H -3.702112 4.069714 -1.516461
H 4.758567 2.505502 0.189241
H 3.399235 1.752337 1.053685
H 4.368531 -0.444916 1.016259
H 5.626124 0.677008 1.615071
H 2.680892 2.111729 -1.249472
H 4.184828 1.387504 -1.908168
H -2.322814 1.237531 0.709137
H 3.379694 -0.781798 -1.421124
H -4.830895 5.106466 0.594702
H -4.726896 4.139613 2.110235
H -3.248746 4.853306 1.409387
H -5.742509 2.185783 1.129628
H -5.950430 2.938501 -0.490767
H -5.013913 1.410040 -0.308183
H 5.696971 -2.167760 0.231057
H 7.191620 -1.394942 0.869197
H 7.072201 -1.849251 -0.867238
H 6.484642 1.756466 -1.151590
H 7.531186 0.391916 -1.628985
H 7.662358 1.083560 0.028358
H -4.296353 -3.392285 1.402745
H -4.709507 -1.717623 0.909871
H -4.791195 -3.064565 -0.272198
H -3.220048 -4.963931 -0.942922
H -1.520937 -5.476350 -0.656266
H -2.646730 -5.225530 0.719726


