%chk=000265978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265978

0 1
O 6.407276 0.140777 -0.068675
N -4.231463 1.390958 0.391190
C -2.151900 0.203029 -0.552939
C -1.415507 -1.095578 -0.086840
C 0.104299 -1.037551 -0.322334
C -3.561433 0.058038 0.178641
C -1.841454 -1.301587 1.380564
C 0.737399 0.221058 0.317096
C -1.430814 1.472440 -0.048438
C -3.189121 -0.584262 1.556275
C 0.077485 1.463440 -0.314109
C 0.815467 -2.296620 0.199010
C -2.269012 0.227675 -2.079646
C 2.245290 0.222312 0.185007
C 2.277034 -2.295279 -0.260673
C 2.964485 -0.971611 -0.057664
C -4.429440 -0.871099 -0.548876
C -5.380179 1.298839 1.346953
C -4.714805 2.005830 -0.882514
C 2.955987 1.415214 0.365002
C 4.359859 -0.946234 -0.135652
C 4.351356 1.464906 0.291874
C -5.160587 -1.630574 -1.132159
C 5.037212 0.273420 0.037817
C 7.213557 1.330817 0.095887
H -1.815196 -1.951657 -0.684908
H 0.266057 -0.980503 -1.429515
H 0.506391 0.216458 1.415398
H -1.088106 -0.882475 2.072435
H -1.920925 -2.373914 1.620710
H -1.613059 1.590415 1.039328
H -1.886998 2.369864 -0.508113
H -3.974661 -1.277364 1.897127
H -3.104543 0.200931 2.330333
H 0.283012 1.489505 -1.400627
H 0.524842 2.388417 0.098573
H 0.306313 -3.208861 -0.161740
H 0.767267 -2.337171 1.303838
H -1.280641 0.309238 -2.546479
H -2.745069 -0.675894 -2.475654
H -2.864398 1.087587 -2.420647
H 2.333197 -2.557039 -1.339867
H 2.832264 -3.097508 0.267903
H -4.996487 1.073686 2.354409
H -6.135230 0.543572 1.082610
H -5.879255 2.278559 1.411406
H -3.892438 2.038796 -1.622002
H -5.010028 3.046653 -0.675897
H -5.565021 1.485268 -1.348589
H 2.411159 2.339871 0.569132
H 4.936378 -1.847835 -0.325922
H 4.868828 2.405521 0.432119
H -5.782608 -2.283797 -1.632578
H 7.081716 1.743416 1.100110
H 6.973572 2.062960 -0.680282
H 8.228775 0.935442 -0.036709


%chk=000265978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265978

0 1
O 6.538356 0.103212 -0.090940
N -4.369334 1.352342 0.359398
C -2.175286 0.234926 -0.538760
C -1.430361 -1.064941 -0.060371
C 0.101230 -1.020937 -0.295621
C -3.592667 0.073268 0.196757
C -1.875757 -1.298862 1.414438
C 0.755944 0.247011 0.313040
C -1.446603 1.501153 0.000190
C -3.179376 -0.476762 1.609866
C 0.073175 1.503550 -0.290346
C 0.821962 -2.292916 0.200706
C -2.236332 0.252586 -2.088429
C 2.286386 0.225283 0.172701
C 2.271810 -2.309761 -0.323946
C 2.998255 -0.984936 -0.098311
C -4.428659 -0.954114 -0.495868
C -5.534535 1.226994 1.272452
C -4.790775 1.996214 -0.906837
C 3.042912 1.406338 0.368238
C 4.407898 -0.967628 -0.174687
C 4.452425 1.430979 0.291574
C -5.224179 -1.728274 -1.037858
C 5.139800 0.225841 0.012565
C 7.332789 1.317776 0.094260
H -1.827930 -1.905196 -0.668235
H 0.266737 -0.971308 -1.395412
H 0.528432 0.253451 1.404186
H -1.102057 -0.965222 2.129879
H -2.041271 -2.373507 1.604673
H -1.594368 1.580967 1.093714
H -1.914277 2.405832 -0.430697
H -3.981650 -1.083012 2.061772
H -3.001031 0.394195 2.266480
H 0.272134 1.536820 -1.380342
H 0.504235 2.428643 0.136376
H 0.286094 -3.198424 -0.146729
H 0.819455 -2.317633 1.308759
H -1.252368 -0.006127 -2.518484
H -2.967548 -0.485729 -2.462535
H -2.509590 1.242200 -2.494014
H 2.254054 -2.526865 -1.412944
H 2.847861 -3.131314 0.143502
H -5.217190 0.857187 2.259502
H -6.328806 0.547785 0.880080
H -5.976392 2.229592 1.414407
H -3.914198 2.260297 -1.515670
H -5.325532 2.931351 -0.662779
H -5.467815 1.357764 -1.523038
H 2.525158 2.345502 0.592895
H 4.964221 -1.889583 -0.378885
H 4.987747 2.371672 0.451094
H -5.889924 -2.425630 -1.511849
H 7.193598 1.742439 1.108096
H 7.080787 2.085348 -0.663886
H 8.378455 1.000660 -0.033432


