%chk=000242506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242506

0 1
O -0.677470 1.210668 -0.023204
O -4.612381 0.624961 -0.171530
O -3.518524 -1.370679 -0.471022
N -1.585514 -0.373708 1.352100
N -2.881929 0.155385 1.224765
C 3.269604 -0.582928 0.239299
C 4.453356 0.252639 -0.266371
C 1.966254 0.222058 0.191959
C 5.763550 -0.546289 -0.224062
C 0.778831 -0.606616 0.701881
C 6.944169 0.281576 -0.726290
C -0.506576 0.172534 0.579535
C -3.634714 -0.305762 0.090009
C -5.637963 0.213787 -1.120276
H 3.467926 -0.926436 1.273044
H 3.171790 -1.501261 -0.371818
H 4.555469 1.172434 0.341592
H 4.258573 0.598394 -1.300275
H 2.061818 1.148146 0.794171
H 1.761461 0.568296 -0.842882
H 5.665026 -1.464683 -0.835489
H 5.962214 -0.890662 0.809758
H 0.695131 -1.548738 0.117174
H 0.959117 -0.916413 1.753171
H 6.797498 0.607833 -1.762390
H 7.094787 1.181355 -0.118819
H 7.875153 -0.295482 -0.693449
H -1.603032 -1.371779 1.600382
H -2.889376 1.185900 1.364015
H -6.150905 1.159618 -1.328821
H -6.296264 -0.513269 -0.635511
H -5.175380 -0.209278 -2.018844


%chk=000242506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242506

0 1
O -0.717241 1.086628 -0.651517
O -4.847242 0.583477 -0.008891
O -3.571843 -1.369368 -0.372034
N -1.549282 -0.097657 1.172190
N -2.844770 0.394248 1.025566
C 3.301002 -0.587758 0.124617
C 4.571156 0.240818 -0.172172
C 2.014766 0.266577 0.141790
C 5.860383 -0.611458 -0.208893
C 0.752715 -0.573267 0.440130
C 7.124378 0.222333 -0.510608
C -0.540337 0.219444 0.244822
C -3.726489 -0.241763 0.146679
C -5.905102 0.032451 -0.882062
H 3.421813 -1.104834 1.100118
H 3.199220 -1.386295 -0.640361
H 4.680613 1.036516 0.594199
H 4.449252 0.761607 -1.144657
H 2.110501 1.071818 0.897301
H 1.875702 0.768345 -0.833996
H 5.748534 -1.406518 -0.974267
H 5.981985 -1.131246 0.763627
H 0.711721 -1.430232 -0.263570
H 0.801120 -1.002604 1.460565
H 7.040716 0.727089 -1.491628
H 7.274922 1.005563 0.256408
H 8.031710 -0.409057 -0.531684
H -1.420536 -0.853725 1.847673
H -3.009610 1.377296 1.251804
H -6.659696 0.829116 -0.943543
H -6.332548 -0.882429 -0.437350
H -5.495814 -0.203513 -1.878453


