%chk=000208227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208227

0 1
O 4.126287 0.130251 2.113737
O 1.068598 -0.486783 -1.477652
N -1.672268 -0.305195 1.739102
N -4.218802 -0.396249 0.350863
C 2.367454 0.421595 0.411973
C 1.182049 0.478437 1.394661
C 0.773877 -0.895329 1.937919
C -0.598010 -0.854820 2.632905
C -1.846980 -1.119374 0.492497
C -2.973103 -0.248014 2.486505
C 3.603054 -0.230584 1.093059
C 2.034934 -0.541885 -0.762727
C 2.671765 1.822248 -0.083287
C -2.926784 -0.475395 -0.399610
C -4.046551 0.411593 1.597845
C 4.007814 -1.410083 0.264097
C 3.105860 -1.586361 -0.809982
C 2.001935 2.336050 -1.204927
C 3.583702 2.638191 0.603768
C -5.411037 -0.205512 -0.400914
C 5.087400 -2.260425 0.436866
C 3.275299 -2.613908 -1.723345
C 5.262866 -3.306374 -0.490885
C 4.373665 -3.479590 -1.551535
C 2.267923 3.632823 -1.651101
C 3.846422 3.934547 0.153536
C -5.477331 -0.604376 -1.757634
C -6.588712 0.268663 0.225168
C 3.194590 4.434298 -0.977588
C -6.683919 -0.535930 -2.450074
C -7.785109 0.328862 -0.486086
C -7.844446 -0.068086 -1.825431
H 1.435524 1.159275 2.232572
H 0.314599 0.953889 0.879155
H 0.754407 -1.649579 1.126816
H 1.528707 -1.255258 2.666148
H -0.836084 -1.870048 3.020195
H -0.537673 -0.178470 3.516342
H -2.110403 -2.178415 0.700355
H -0.883189 -1.114417 -0.069242
H -2.827826 0.372738 3.396562
H -3.326656 -1.249135 2.817915
H -2.588726 0.531362 -0.734500
H -3.063164 -1.100040 -1.311573
H -5.009872 0.448208 2.155214
H -3.754497 1.460590 1.365358
H 1.258574 1.731080 -1.731309
H 4.087794 2.272798 1.502624
H 5.781878 -2.122193 1.266683
H 2.578917 -2.747110 -2.552224
H 6.107906 -3.986357 -0.373903
H 4.526371 -4.294189 -2.260895
H 1.746311 4.019771 -2.525496
H 4.560219 4.557322 0.691098
H -4.589538 -0.979319 -2.262849
H -6.569860 0.574821 1.268786
H 3.402496 5.443103 -1.328201
H -6.721006 -0.849935 -3.493055
H -8.684845 0.692227 0.010024
H -8.779508 -0.014904 -2.373222


%chk=000208227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208227

0 1
O 3.970986 0.044473 2.334336
O 1.279016 -0.896639 -1.552667
N -1.787290 -0.431883 1.694522
N -4.361410 -0.245702 0.366003
C 2.390551 0.232817 0.395932
C 1.097475 0.289098 1.263764
C 0.658875 -1.067198 1.855294
C -0.712084 -0.974210 2.562136
C -2.110715 -1.297671 0.536434
C -3.020905 -0.138319 2.460273
C 3.614841 -0.313907 1.180841
C 2.266122 -0.782116 -0.777691
C 2.684217 1.656820 -0.157797
C -3.149935 -0.630884 -0.383915
C -4.051553 0.566561 1.565267
C 4.279320 -1.360562 0.349659
C 3.493932 -1.629956 -0.799717
C 2.020690 2.112114 -1.327288
C 3.533731 2.552640 0.541224
C -5.583480 -0.050303 -0.325314
C 5.482506 -2.054739 0.590936
C 3.889857 -2.601393 -1.742296
C 5.887907 -3.023883 -0.354847
C 5.100049 -3.294017 -1.509455
C 2.217158 3.429840 -1.795588
C 3.727477 3.870402 0.068860
C -5.668389 -0.160833 -1.748062
C -6.793537 0.224915 0.385898
C 3.073940 4.314908 -1.102292
C -6.904032 -0.018995 -2.415127
C -8.018058 0.374515 -0.292770
C -8.092059 0.251556 -1.700923
H 1.274758 1.015240 2.079933
H 0.281464 0.694426 0.639679
H 0.617253 -1.836569 1.060129
H 1.399126 -1.420464 2.599602
H -0.980360 -1.985951 2.964991
H -0.621249 -0.294063 3.432025
H -2.507359 -2.289967 0.874289
H -1.197062 -1.474456 -0.057734
H -2.764382 0.526018 3.306860
H -3.477840 -1.072608 2.877985
H -2.682189 0.251880 -0.878969
H -3.423218 -1.359443 -1.166084
H -4.967766 0.748289 2.147271
H -3.638234 1.555425 1.260271
H 1.346866 1.438554 -1.866684
H 4.032835 2.229414 1.459897
H 6.075019 -1.841749 1.486231
H 3.271788 -2.804139 -2.622541
H 6.819139 -3.579924 -0.201048
H 5.439734 -4.052488 -2.223186
H 1.697140 3.764463 -2.700350
H 4.387034 4.549533 0.620991
H -4.768943 -0.333636 -2.345573
H -6.787699 0.293023 1.478326
H 3.226185 5.336994 -1.466764
H -6.930442 -0.107576 -3.507849
H -8.926185 0.577411 0.287398
H -9.047321 0.366014 -2.223625


