%chk=000217783.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217783

0 1
O 2.029279 -0.974020 0.356826
O 4.255579 -2.630926 0.059092
O -4.126613 0.562193 -1.002794
N 4.939795 0.898669 -0.747034
N -3.419390 -0.029421 1.136376
N -5.644625 0.720932 0.740344
C 4.769417 -0.263884 0.167219
C 4.117415 -1.399114 -0.655891
C 4.557807 2.213523 -0.124869
C 2.636731 -1.124157 -0.963579
C 3.031696 2.357725 -0.179561
C 5.247255 3.346896 -0.897293
C 0.672231 -0.731475 0.416145
C -0.176334 -0.564703 -0.683870
C 0.191113 -0.651203 1.738766
C -2.028654 -0.235960 0.848457
C -1.532354 -0.316566 -0.462999
C -1.158336 -0.400574 1.950706
C -4.372968 0.412082 0.182205
C -6.773272 0.903304 -0.214323
C -7.511965 -0.398368 -0.511564
H 4.113992 -0.018732 1.032762
H 5.725871 -0.632995 0.593068
H 4.677281 -1.594372 -1.601048
H 4.883913 2.264663 0.948704
H 5.902105 0.928595 -1.095395
H 2.157191 -1.973387 -1.477103
H 2.512293 -0.181934 -1.528432
H 2.669971 2.369472 -1.214689
H 2.530189 1.517312 0.321045
H 2.700058 3.281839 0.301796
H 5.015801 3.299034 -1.969381
H 6.335812 3.317988 -0.790580
H 4.908022 4.325519 -0.539609
H 3.651361 -2.645633 0.835453
H 0.194703 -0.621282 -1.703525
H 0.879803 -0.784500 2.569919
H -2.204489 -0.177973 -1.319543
H -1.535380 -0.334872 2.969725
H -3.657121 0.008591 2.127823
H -6.375123 1.346989 -1.160439
H -7.459003 1.655490 0.237221
H -5.914189 0.277466 1.616991
H -8.339605 -0.226465 -1.211293
H -7.936964 -0.855947 0.387709
H -6.849102 -1.138521 -0.980436


%chk=000217783-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217783

0 1
O 2.012295 -1.065177 0.418839
O 4.281139 -2.639479 0.199201
O -4.302841 0.335793 -1.257615
N 4.929224 0.957195 -0.780500
N -3.529174 -0.001460 0.950564
N -5.786529 0.480156 0.545683
C 4.852132 -0.220912 0.110869
C 4.153181 -1.408936 -0.596977
C 4.909664 2.298591 -0.130939
C 2.680019 -1.112362 -0.900361
C 3.478829 2.653576 0.331464
C 5.436103 3.342570 -1.136786
C 0.630350 -0.797435 0.451798
C -0.167634 -0.555415 -0.690736
C 0.038087 -0.772920 1.737200
C -2.146687 -0.261751 0.727919
C -1.548145 -0.288779 -0.557502
C -1.335120 -0.507996 1.870905
C -4.519520 0.272851 -0.008653
C -6.959069 0.744454 -0.302927
C -7.947293 -0.440282 -0.352448
H 4.262620 0.046686 1.005935
H 5.844059 -0.578444 0.466294
H 4.672554 -1.628746 -1.547904
H 5.578815 2.315916 0.765848
H 5.709685 0.878384 -1.445913
H 2.230895 -1.921415 -1.508694
H 2.594653 -0.135917 -1.413686
H 2.811371 2.739720 -0.545230
H 3.060133 1.879533 0.999575
H 3.473752 3.614463 0.879197
H 4.813244 3.337313 -2.050588
H 6.483540 3.131255 -1.427357
H 5.403851 4.356306 -0.700210
H 3.598898 -2.583875 0.919218
H 0.268253 -0.568103 -1.693835
H 0.662978 -0.961600 2.615523
H -2.167810 -0.099461 -1.435706
H -1.781147 -0.491867 2.874205
H -3.814055 -0.008176 1.931967
H -6.563555 0.953738 -1.311148
H -7.472120 1.658293 0.055708
H -5.937522 0.372796 1.549892
H -8.804618 -0.196456 -1.006729
H -8.346159 -0.680788 0.651233
H -7.450130 -1.340541 -0.753494


