%chk=000267399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267399

0 1
O -4.261166 0.441418 1.245357
O -1.210841 -3.572944 0.969832
O -4.439031 -1.845683 -0.214205
O -4.862709 1.432851 -1.032390
N 0.144843 -1.812636 0.514833
N 2.415131 0.906361 -0.165654
N -2.747273 1.435134 -1.909937
C 0.345956 -0.436524 0.305754
C -3.132432 0.996366 0.559915
C -2.034308 -0.061564 0.567366
C 1.424608 -2.596763 0.448395
C 2.452362 -1.535422 0.164643
C 1.797119 -0.232386 0.078129
C -2.254443 -1.398959 0.744659
C -0.698293 0.436052 0.335460
C -1.147880 -2.376041 0.762351
C -2.713599 2.304802 1.264457
C 3.800340 -1.612004 -0.011346
C -3.653246 1.294747 -0.884321
C -3.607864 -2.054080 0.926752
C 4.519445 -0.395057 -0.276419
C 3.801850 0.836288 -0.346687
C -3.838734 3.328764 1.337477
C 5.931984 -0.378184 -0.472709
C 4.502271 2.055765 -0.609919
C 6.583953 0.805790 -0.724486
C 5.863077 2.032368 -0.793474
C -3.212637 1.677510 -3.292054
H 1.358069 -3.369731 -0.350282
H 1.595502 -3.128256 1.411976
H -0.514653 1.504173 0.208583
H -1.834001 2.747447 0.753634
H -2.377507 2.048290 2.292642
H 4.344392 -2.554443 0.041598
H -4.105525 -1.676329 1.842129
H -3.522877 -3.163132 0.970474
H -4.666649 2.977398 1.967215
H -4.257565 3.561265 0.348463
H -3.483454 4.271611 1.771006
H -5.070503 1.005995 1.069550
H -1.759616 1.229740 -1.795071
H 6.481218 -1.318149 -0.419018
H 3.929036 2.983935 -0.657323
H -4.831085 -0.935845 -0.188791
H 7.663762 0.824736 -0.875138
H 6.412541 2.952816 -0.994485
H -3.010673 0.805438 -3.936988
H -2.711652 2.564715 -3.712438
H -4.307243 1.859657 -3.309316


%chk=000267399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267399

0 1
O -4.127813 0.602359 1.556804
O -1.193196 -3.616441 0.741435
O -4.456614 -1.669147 -0.407293
O -5.113042 1.307663 -0.778791
N 0.184208 -1.775174 0.421782
N 2.509033 0.934792 -0.055321
N -3.064199 1.285174 -1.897627
C 0.421477 -0.411788 0.297250
C -3.108006 1.045786 0.604268
C -1.973191 0.000808 0.551006
C 1.421714 -2.596274 0.345849
C 2.486276 -1.539414 0.136697
C 1.867773 -0.232614 0.113915
C -2.214348 -1.386552 0.637078
C -0.628127 0.488761 0.367023
C -1.095522 -2.350254 0.613304
C -2.610339 2.468340 1.041705
C 3.860003 -1.631802 -0.027581
C -3.838190 1.199149 -0.778454
C -3.584267 -2.045881 0.719295
C 4.606710 -0.415912 -0.211798
C 3.888675 0.851550 -0.218563
C -3.751449 3.474136 1.292882
C 6.026663 -0.407353 -0.389696
C 4.621416 2.067142 -0.401023
C 6.715352 0.795807 -0.566364
C 6.007832 2.040219 -0.571510
C -3.633119 1.435356 -3.244879
H 1.337355 -3.325336 -0.481086
H 1.540303 -3.178484 1.278265
H -0.385854 1.549878 0.316528
H -1.932109 2.882659 0.271611
H -2.022665 2.339995 1.970000
H 4.383903 -2.594599 -0.021101
H -4.063785 -1.813005 1.686249
H -3.437800 -3.133403 0.631566
H -4.399297 3.138612 2.120729
H -4.382947 3.621111 0.398852
H -3.328823 4.454753 1.575751
H -4.991922 0.969331 1.202303
H -2.065161 1.083802 -1.806058
H 6.568907 -1.360647 -0.385356
H 4.056300 3.004065 -0.400163
H -4.996672 -0.875675 -0.159080
H 7.802193 0.791705 -0.701558
H 6.561654 2.974952 -0.710060
H -3.498506 0.509736 -3.833441
H -3.159667 2.279014 -3.777452
H -4.711118 1.630399 -3.137693


