%chk=000196744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196744

0 1
O 1.081126 -1.588299 1.592956
O 4.657392 -1.104923 -0.719807
O 4.154824 -3.273052 -0.167498
O -5.083649 1.416814 -0.850684
O 2.696464 5.851171 0.000959
O 6.011293 -1.488042 -0.531735
O -6.177388 -3.157179 -0.415306
N 1.376868 0.496046 0.524739
N -0.868654 -1.799839 0.310877
N -3.730634 3.286601 -0.824782
C 2.050654 -0.771684 0.896974
C 2.391691 -1.568602 -0.418307
C 0.382038 -2.468719 0.690585
C 1.329693 -2.674178 -0.514825
C -0.001098 0.600497 0.229550
C -0.982509 -0.398626 0.138981
C -0.351573 1.973616 -0.012667
C -2.345352 -0.055708 -0.149965
C 1.930959 1.813130 0.445955
C 3.180085 -0.582989 1.886768
C -2.170122 -2.357570 0.189662
C 0.871806 2.740663 0.123089
C -1.677837 2.287743 -0.308514
C -2.665469 1.284022 -0.375230
C -3.099173 -1.296283 -0.120294
C 3.790073 -2.150959 -0.386722
C -2.299780 3.636592 -0.590555
C 3.253062 2.244188 0.584777
C -3.983336 1.903677 -0.700319
C -2.586360 -3.688883 0.297298
C 1.147249 4.096536 -0.020048
C -4.445924 -1.579917 -0.322668
C 3.526761 3.602941 0.440061
C 2.479058 4.499654 0.149684
C -3.936963 -3.965952 0.097372
C -4.835777 -2.920601 -0.206960
C 6.527136 -1.973174 -1.789397
H 2.316151 -0.880525 -1.301927
H 0.176668 -3.387785 1.286456
H 0.784911 -2.629489 -1.477237
H 1.788510 -3.684440 -0.470081
H 3.492707 -1.551018 2.311848
H 4.067048 -0.106562 1.437545
H 2.862986 0.033361 2.744414
H -2.191321 4.331341 0.271009
H -1.854213 4.121219 -1.486563
H 4.060006 1.539277 0.793231
H -1.887313 -4.485450 0.531709
H 0.377236 4.825285 -0.255226
H -5.169422 -0.788212 -0.560815
H -4.420778 3.987705 -1.029593
H 4.544942 3.966179 0.547691
H -4.299085 -4.987549 0.176756
H 3.645473 6.091057 0.131665
H -6.404157 -4.111226 -0.311805
H 7.594671 -2.083656 -1.545974
H 6.378715 -1.240253 -2.586322
H 6.081130 -2.941869 -2.037288


%chk=000196744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196744

0 1
O 1.047594 -1.520066 2.046395
O 4.113562 -0.934576 -1.253930
O 4.264932 -2.998976 -0.106332
O -4.839959 1.319995 -1.455718
O 2.767970 5.964862 0.225872
O 5.624172 -1.040375 -1.458306
O -6.060194 -3.271287 -0.799245
N 1.418625 0.532281 0.873904
N -0.856583 -1.769044 0.617189
N -3.425609 3.215264 -1.355799
C 2.029111 -0.769258 1.204595
C 2.164940 -1.667930 -0.126237
C 0.296565 -2.453818 1.200706
C 1.335725 -2.938313 0.162400
C 0.090786 0.599750 0.391063
C -0.897311 -0.406835 0.269880
C -0.212225 1.946264 0.008114
C -2.203528 -0.093800 -0.246489
C 1.984098 1.842375 0.797548
C 3.301795 -0.674894 2.045616
C -2.112044 -2.347434 0.325058
C 0.981829 2.732837 0.266003
C -1.496479 2.252122 -0.496086
C -2.478939 1.248357 -0.627153
C -2.975130 -1.330078 -0.215873
C 3.612136 -2.002970 -0.456879
C -2.059908 3.585681 -0.959311
C 3.260621 2.341769 1.133506
C -3.726815 1.858049 -1.181126
C -2.546288 -3.676952 0.487458
C 1.257677 4.105606 0.082531
C -4.300440 -1.651567 -0.589759
C 3.526207 3.714793 0.944496
C 2.533878 4.588644 0.425355
C -3.872496 -3.985579 0.114406
C -4.732996 -2.981341 -0.415846
C 5.839553 -1.752387 -2.733420
H 1.737573 -1.085846 -0.959546
H -0.065473 -3.262662 1.855537
H 0.857116 -3.350506 -0.740294
H 1.982306 -3.710193 0.614443
H 3.558481 -1.688313 2.390816
H 4.155130 -0.284622 1.469275
H 3.126584 -0.040316 2.928879
H -2.058894 4.339632 -0.145357
H -1.485106 4.007062 -1.809573
H 4.054131 1.712520 1.533364
H -1.894222 -4.461406 0.884663
H 0.515046 4.801146 -0.316655
H -4.965645 -0.885980 -0.999585
H -4.111891 3.870918 -1.725220
H 4.518574 4.105419 1.203998
H -4.240357 -5.013265 0.232694
H 3.687615 6.207254 0.496290
H -6.273961 -4.221773 -0.628867
H 6.935513 -1.694745 -2.859559
H 5.333527 -1.232856 -3.565837
H 5.520618 -2.806538 -2.660553


