%chk=000229521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229521

0 1
O 2.230490 -2.431462 0.004026
O -0.189157 0.549055 -1.758357
N 1.321391 -0.376459 0.439955
N 0.136158 0.371561 0.513257
C 2.533068 0.398217 0.211851
C 1.220812 -1.783371 0.167453
C -0.157864 -2.366293 0.213743
C 3.506703 -0.041334 -0.700551
C 2.726577 1.580094 0.950264
C -0.566484 0.800988 -0.634344
C -1.804158 1.564416 -0.274982
C -0.962865 -2.335763 -0.931824
C -0.604345 -2.986011 1.387236
C 4.676949 0.702794 -0.861324
C 3.901505 2.313150 0.769548
C 4.877834 1.879502 -0.132377
C -1.846883 2.946310 -0.494716
C -2.917843 0.884094 0.234477
C -2.228933 -2.926431 -0.896839
C -1.872872 -3.572894 1.413633
C -2.683453 -3.543427 0.273641
C -3.014109 3.653698 -0.191308
C -4.081213 1.598464 0.532403
C -4.128244 2.981310 0.321908
H -0.192436 0.543272 1.466122
H 3.361859 -0.963277 -1.269313
H 1.978973 1.924239 1.659811
H -0.604255 -1.845295 -1.843022
H 0.035972 -3.018765 2.268848
H 5.436349 0.361175 -1.564732
H 4.056577 3.228322 1.339568
H 5.791187 2.454806 -0.266606
H -0.979239 3.463531 -0.907065
H -2.879680 -0.196105 0.386472
H -2.858230 -2.909469 -1.786294
H -2.225832 -4.060382 2.321292
H -3.668921 -4.007595 0.295707
H -3.055700 4.729249 -0.360285
H -4.953024 1.077169 0.925760
H -5.037359 3.535521 0.555161


%chk=000229521-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229521

0 1
O 2.197589 -2.497081 0.715606
O -0.115606 1.033996 -1.753341
N 1.237043 -0.403931 0.271023
N 0.056794 0.335794 0.466571
C 2.474677 0.341086 0.157096
C 1.168256 -1.819449 0.433831
C -0.176454 -2.470620 0.262286
C 3.629793 -0.258728 -0.406893
C 2.520321 1.692731 0.579065
C -0.566403 1.039788 -0.573682
C -1.796444 1.799598 -0.159051
C -1.032743 -2.164651 -0.827944
C -0.519460 -3.521644 1.151249
C 4.814201 0.494958 -0.533488
C 3.711983 2.436302 0.443630
C 4.868117 1.843110 -0.109508
C -2.131598 2.961418 -0.900184
C -2.642449 1.375555 0.900253
C -2.230424 -2.889522 -1.006403
C -1.727829 -4.230150 0.980618
C -2.587862 -3.913709 -0.097736
C -3.280755 3.707813 -0.568148
C -3.796024 2.121843 1.226065
C -4.112615 3.293070 0.499379
H -0.260510 0.449657 1.432813
H 3.606501 -1.299729 -0.731326
H 1.629662 2.171463 0.997236
H -0.747969 -1.392305 -1.550499
H 0.174850 -3.780232 1.957853
H 5.700046 0.022109 -0.971560
H 3.731304 3.481861 0.770488
H 5.792570 2.420952 -0.213426
H -1.484006 3.254621 -1.732983
H -2.440462 0.441137 1.437877
H -2.879859 -2.659242 -1.857895
H -1.992153 -5.033562 1.676826
H -3.521340 -4.470416 -0.237115
H -3.531090 4.607693 -1.140106
H -4.452812 1.783960 2.034849
H -5.007535 3.871063 0.754868


