%chk=000222720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222720

0 1
O 1.223132 -0.737675 -2.795228
N -3.929478 -0.816742 0.002526
N 2.664486 -2.168684 -1.847530
C -3.263974 -2.056207 -0.521066
C 1.589076 -0.457768 -0.366815
C -4.446988 -1.032347 1.394079
C -5.034210 -0.387562 -0.918910
C 0.480758 -1.317525 0.302757
C -1.874049 -2.231857 0.118749
C -0.882239 -1.178102 -0.387771
C -5.052842 0.273886 1.933958
C -5.652091 0.927452 -0.413906
C -6.176434 0.778085 1.019622
C 1.128749 1.000236 -0.370823
C 2.927872 -0.513049 0.371657
C 1.799658 -1.075138 -1.773344
C 0.671441 1.665249 -1.513205
C 3.978050 0.296388 -0.101803
C 1.146493 1.690442 0.857410
C 3.151031 -1.337787 1.480482
C 0.253681 2.998880 -1.436335
C 5.223907 0.276982 0.524249
C 0.727719 3.018768 0.931110
C 4.402932 -1.353932 2.107569
C 0.281195 3.680460 -0.218642
C 5.441017 -0.550839 1.632479
H -3.867904 -2.973991 -0.354359
H -3.144798 -1.954829 -1.622948
H -5.197069 -1.849939 1.452337
H -3.585286 -1.333185 2.030242
H -5.825873 -1.158506 -1.031891
H -4.589801 -0.222165 -1.924740
H 0.791705 -2.380242 0.311010
H 0.379898 -1.011709 1.363576
H -1.501719 -3.248511 -0.109929
H -1.956624 -2.171192 1.222067
H -0.774542 -1.252756 -1.489147
H -1.301588 -0.163157 -0.209414
H -5.428054 0.115565 2.960291
H -4.257367 1.043477 2.002617
H -4.883304 1.726214 -0.446271
H -6.462944 1.243283 -1.093871
H -7.031133 0.076550 1.042461
H -6.561841 1.746576 1.387321
H 0.621876 1.149781 -2.480089
H 3.810742 0.952290 -0.958178
H 1.492559 1.188113 1.760022
H 2.358861 -1.971370 1.875844
H 3.252745 -2.468490 -1.090307
H 2.837380 -2.593969 -2.746160
H -0.098940 3.501499 -2.335606
H 6.028401 0.910297 0.152119
H 0.747050 3.540940 1.885635
H 4.563215 -1.996223 2.972410
H -0.045190 4.716035 -0.161140
H 6.412954 -0.563900 2.121731


%chk=000222720-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222720

0 1
O 0.958935 -0.909965 -2.827217
N -3.961692 -0.892492 0.007522
N 3.019346 -1.669879 -2.141864
C -3.353540 -2.217127 -0.273666
C 1.584411 -0.499335 -0.444527
C -4.200772 -0.656986 1.452559
C -5.197310 -0.674942 -0.786560
C 0.485278 -1.460628 0.163513
C -1.896178 -2.356755 0.219391
C -0.943168 -1.311181 -0.400242
C -4.708956 0.777519 1.707926
C -5.734923 0.758698 -0.604565
C -5.988890 1.059782 0.889695
C 1.052717 0.959266 -0.396375
C 2.903486 -0.575675 0.371286
C 1.827257 -1.011007 -1.906610
C 0.726198 1.732952 -1.537060
C 3.896302 0.426944 0.182118
C 0.876693 1.547097 0.886383
C 3.195268 -1.634868 1.270333
C 0.248219 3.057732 -1.395919
C 5.127433 0.377487 0.868041
C 0.391408 2.863017 1.028677
C 4.428251 -1.685619 1.963851
C 0.075535 3.630299 -0.117309
C 5.401151 -0.681793 1.766317
H -3.969478 -3.048271 0.163524
H -3.363837 -2.354709 -1.372974
H -4.949804 -1.391533 1.859140
H -3.255880 -0.817969 2.001656
H -6.001372 -1.405291 -0.494335
H -4.959791 -0.858009 -1.851473
H 0.818771 -2.509778 0.024255
H 0.455847 -1.277280 1.257081
H -1.552695 -3.380245 -0.039942
H -1.858140 -2.294656 1.326749
H -0.927884 -1.422389 -1.499603
H -1.338540 -0.300713 -0.194344
H -4.898167 0.912887 2.790712
H -3.915375 1.490895 1.412050
H -4.986850 1.470689 -1.003398
H -6.665174 0.880823 -1.192761
H -6.812221 0.413565 1.260153
H -6.314635 2.108666 1.025837
H 0.816811 1.295282 -2.533949
H 3.688857 1.259884 -0.499182
H 1.139067 0.972729 1.783231
H 2.462351 -2.428120 1.444326
H 3.750189 -1.736898 -1.435272
H 3.167231 -2.062180 -3.071738
H 0.002694 3.637508 -2.293279
H 5.871372 1.165627 0.705655
H 0.265723 3.290776 2.030044
H 4.624642 -2.511139 2.657575
H -0.298582 4.655111 -0.013089
H 6.354713 -0.719705 2.304560


