%chk=000213706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213706

0 1
O 4.787083 -2.170247 -0.741360
N -0.853353 -1.947965 0.121582
N 2.777461 -1.193386 -0.283630
N -6.527719 -0.497843 1.069291
C 1.997429 -2.444001 -0.488569
C 0.931643 -2.239951 -1.582589
C 1.333439 -2.893118 0.827560
C -0.241592 -1.365872 -1.117342
C 0.150078 -2.003697 1.235252
C -2.066097 -1.170975 0.540978
C -3.255404 -1.576436 -0.353886
C -4.500282 -0.903748 0.094098
C 4.164158 -1.164402 -0.438927
C -4.864926 0.468484 -0.177351
C -5.520729 -1.463866 0.848121
C -6.139799 0.696527 0.444613
C 4.799324 0.168565 -0.191668
C -4.250287 1.521392 -0.880077
C -6.792681 1.945042 0.374536
C -4.893831 2.745090 -0.946764
C 5.883807 0.239518 0.694928
C 4.360655 1.320453 -0.855747
C -6.153392 2.952988 -0.324042
C 6.509433 1.462484 0.934055
C 4.990392 2.544071 -0.620814
C 6.066103 2.624483 0.278543
C 6.749259 3.927673 0.532510
H 2.720745 -3.241899 -0.824097
H 0.545670 -3.237229 -1.880561
H 1.389067 -1.803005 -2.489709
H 2.079023 -2.922149 1.644097
H 0.975965 -3.935957 0.697657
H 0.091657 -0.314754 -0.982334
H -1.024843 -1.352956 -1.908369
H -0.351678 -2.450681 2.122259
H 0.512490 -0.999906 1.543309
H -1.920955 -0.070437 0.506073
H -2.310622 -1.421991 1.596506
H -3.044636 -1.323948 -1.414215
H -3.367285 -2.681759 -0.336593
H 2.261475 -0.374783 0.015908
H -5.607350 -2.462134 1.237554
H -7.375172 -0.648385 1.577493
H -3.287531 1.360524 -1.359045
H -7.754703 2.099289 0.849937
H -4.438386 3.573218 -1.485014
H 6.238854 -0.668051 1.187929
H 3.536251 1.263445 -1.566619
H -6.617962 3.934891 -0.406575
H 7.349236 1.514816 1.624458
H 4.648443 3.435697 -1.142261
H 6.207111 4.783940 0.110501
H 6.869454 4.121769 1.607884
H 7.756711 3.934675 0.088726


%chk=000213706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213706

0 1
O 4.615063 -2.214610 0.474237
N -0.820478 -1.990792 0.016796
N 2.767583 -1.225800 -0.522231
N -6.558075 -0.508236 1.046516
C 2.029121 -2.503972 -0.641818
C 0.929378 -2.384571 -1.720348
C 1.389014 -2.928791 0.707238
C -0.249046 -1.498323 -1.257537
C 0.211822 -2.013975 1.088859
C -2.039399 -1.251772 0.429938
C -3.283944 -1.610279 -0.426974
C -4.533922 -0.912317 0.050993
C 4.037649 -1.169974 0.025112
C -4.866597 0.495136 -0.114860
C -5.589181 -1.484747 0.761306
C -6.141499 0.719067 0.518865
C 4.700209 0.183829 0.071781
C -4.215860 1.588439 -0.747833
C -6.766390 1.985897 0.538474
C -4.834116 2.853572 -0.734507
C 5.800239 0.343668 0.953273
C 4.303583 1.288276 -0.724802
C -6.095279 3.050892 -0.096117
C 6.468099 1.578187 1.052123
C 4.980198 2.524041 -0.625077
C 6.068671 2.693903 0.267454
C 6.798728 4.020671 0.375504
H 2.774604 -3.266356 -0.931857
H 0.537887 -3.397420 -1.925882
H 1.355385 -1.988200 -2.662130
H 2.161960 -2.917794 1.495669
H 1.018968 -3.966758 0.605320
H 0.084552 -0.424838 -1.158769
H -1.032425 -1.507088 -2.035627
H -0.261942 -2.384961 2.016139
H 0.595391 -0.981872 1.306678
H -1.879741 -0.143162 0.411715
H -2.258232 -1.521671 1.479854
H -3.096054 -1.346671 -1.486610
H -3.411657 -2.707657 -0.391079
H 2.283247 -0.361866 -0.768931
H -5.722491 -2.517255 1.080290
H -7.428957 -0.670964 1.546259
H -3.247871 1.449898 -1.243393
H -7.735878 2.142589 1.025012
H -4.343916 3.704840 -1.220155
H 6.112473 -0.523883 1.543941
H 3.491655 1.192847 -1.456623
H -6.550081 4.047847 -0.100612
H 7.313016 1.683063 1.743882
H 4.665392 3.364790 -1.254762
H 6.340365 4.790688 -0.268232
H 6.790718 4.398975 1.414859
H 7.859261 3.918962 0.076881


