%chk=000245083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245083

0 1
O 4.470752 -3.211982 0.150435
N -6.248440 0.472536 -0.155890
N 1.217146 0.439113 -0.025630
N 3.339194 2.224630 -0.059983
C -3.783938 0.453335 -0.175450
C -2.519448 -0.410617 -0.099827
C -5.050336 -0.419774 -0.187163
C -7.541511 -0.270684 -0.073134
C -1.255953 0.459427 -0.096454
C 0.004448 -0.413561 -0.012973
C -8.674999 0.749924 0.188406
C -7.856779 -1.089503 -1.339207
C -8.583585 1.359901 1.583903
C 2.494889 -0.072318 0.011064
C 3.616532 0.868116 -0.007895
C 4.949228 0.363888 0.027569
C 2.759098 -1.446032 0.064540
C 4.099041 -1.887790 0.097763
C 5.190296 -1.025582 0.080448
C 6.015949 1.328338 0.007104
C 5.727379 2.665236 -0.044322
C 4.353823 3.081365 -0.077190
C 3.435594 -4.222865 0.176800
H -3.827676 1.149786 0.687462
H -3.754550 1.097168 -1.075095
H -2.491791 -1.114904 -0.954276
H -2.548572 -1.038084 0.813040
H -5.036239 -1.103911 -1.063024
H -5.075278 -1.062495 0.720766
H -7.474307 -0.970042 0.800737
H -1.289335 1.167523 0.756561
H -1.227964 1.087132 -1.010094
H -6.245827 1.094150 -0.970011
H 0.040789 -1.124841 -0.871468
H -0.009699 -1.026896 0.918708
H -8.649023 1.552569 -0.573475
H -9.653406 0.247239 0.063285
H -7.072757 -1.823209 -1.550978
H -8.794231 -1.644700 -1.228435
H -7.960189 -0.453234 -2.223686
H 1.086024 1.451271 -0.058993
H -8.728179 0.607875 2.366668
H -7.594007 1.810638 1.748886
H -9.335090 2.142447 1.727822
H 1.951281 -2.162959 0.081265
H 6.200470 -1.417464 0.107614
H 7.042969 0.966437 0.033568
H 6.509546 3.420517 -0.060864
H 4.108769 4.147472 -0.118273
H 4.026707 -5.147105 0.218405
H 2.839624 -4.179578 -0.739037
H 2.819060 -4.111302 1.073107


%chk=000245083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245083

0 1
O 4.646754 -3.259375 0.001866
N -6.287504 0.410169 -0.230931
N 1.241095 0.330536 -0.003406
N 3.214954 2.172542 0.068091
C -3.801752 0.385517 -0.137597
C -2.522702 -0.479221 -0.084521
C -5.094654 -0.455887 -0.134378
C -7.611200 -0.234840 -0.029319
C -1.230274 0.365459 -0.066444
C 0.042381 -0.503309 -0.036219
C -8.697631 0.860361 0.117505
C -7.996957 -1.250059 -1.142331
C -8.508842 1.746081 1.366001
C 2.532365 -0.146310 0.014432
C 3.596199 0.845285 0.052323
C 4.974766 0.412286 0.071824
C 2.869372 -1.517972 -0.001880
C 4.242723 -1.912335 0.017582
C 5.288075 -0.976665 0.053826
C 5.966834 1.451088 0.109386
C 5.574318 2.791900 0.125250
C 4.180242 3.113710 0.103585
C 3.612572 -4.293426 -0.036481
H -3.832211 1.081000 0.723127
H -3.778110 1.016086 -1.051910
H -2.503536 -1.163579 -0.958417
H -2.553318 -1.124393 0.818232
H -5.025407 -1.221446 -0.948956
H -5.163507 -1.017655 0.819165
H -7.545962 -0.783590 0.934112
H -1.237675 1.032757 0.819107
H -1.202897 1.019661 -0.961505
H -6.277694 0.975707 -1.093292
H 0.057960 -1.165062 -0.931032
H 0.011976 -1.172006 0.853270
H -8.688036 1.491538 -0.797010
H -9.691537 0.371083 0.145479
H -7.217803 -2.023278 -1.274126
H -8.945532 -1.765309 -0.899564
H -8.131788 -0.730590 -2.111524
H 1.169999 1.354517 0.015807
H -8.627069 1.152151 2.292337
H -7.493613 2.179169 1.371223
H -9.247444 2.568463 1.394713
H 2.076216 -2.268848 -0.029231
H 6.323992 -1.327008 0.067999
H 7.028009 1.176708 0.125445
H 6.314239 3.598245 0.154022
H 3.848093 4.158148 0.115747
H 4.162830 -5.246126 -0.042610
H 2.994772 -4.216615 -0.952584
H 2.959418 -4.248659 0.856913


