%chk=000211499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211499

0 1
O -2.428539 -0.615690 2.303174
O -6.253183 -1.856133 0.026640
N 2.989728 0.993907 0.329652
N 5.658537 -0.087128 -0.054752
N -1.921707 1.397618 0.002326
N -4.982123 -0.202907 -0.946786
N -4.334092 -1.241228 1.166438
N -3.389567 1.564046 -1.748083
C 3.216113 -0.477540 0.139355
C 4.183517 1.600577 1.007984
C 4.466671 -0.693860 -0.734787
C 5.433260 1.384637 0.130231
C 1.741798 1.252051 1.120843
C 0.536364 1.127497 0.172071
C -0.746643 1.595684 0.871185
C 6.908611 -0.332971 -0.849136
C -2.943697 0.461281 0.233358
C -3.838891 0.589562 -0.866830
C -2.221017 2.031472 -1.195434
C 7.303229 -1.780769 -0.725795
C -3.139305 -0.460759 1.327519
C -5.261707 -1.153771 0.081569
C -5.910053 -0.061322 -2.094899
C -4.671031 -2.244236 2.214761
C 7.957648 -2.440133 -1.678770
H 2.330100 -0.905288 -0.376246
H 3.334482 -1.022652 1.101852
H 4.364258 1.179310 2.021380
H 4.004894 2.690549 1.124019
H 4.649939 -1.783789 -0.852457
H 4.291208 -0.277864 -1.750965
H 5.311988 1.929036 -0.831769
H 6.318727 1.811976 0.647297
H 1.621520 0.568492 1.989383
H 1.785414 2.283771 1.533797
H 0.426701 0.077484 -0.169080
H 0.728707 1.716900 -0.748089
H -0.680783 2.671676 1.152554
H -0.905649 1.018799 1.823359
H 7.729168 0.286339 -0.413568
H 6.817324 -0.026002 -1.914359
H -1.612890 2.808059 -1.643690
H 7.028409 -2.247433 0.224271
H -6.755344 -0.768413 -1.991638
H -5.380107 -0.270652 -3.041445
H -6.306711 0.968830 -2.139954
H -3.902000 -2.231928 3.010023
H -4.717789 -3.256327 1.776716
H -5.653629 -2.016079 2.663063
H 8.264028 -3.471195 -1.577604
H 8.241914 -2.011285 -2.627782


%chk=000211499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211499

0 1
O -1.679652 -0.815736 1.814691
O -5.647814 -2.334420 -0.235679
N 2.918752 1.182991 0.233698
N 5.493922 -0.143384 0.007441
N -2.070887 1.777915 0.109757
N -4.871106 -0.206606 -0.850019
N -3.678370 -1.550463 0.767410
N -3.851249 2.001331 -1.315205
C 3.028206 -0.299859 0.250517
C 4.157900 1.788897 0.786919
C 4.261276 -0.757129 -0.544230
C 5.386506 1.334406 -0.016988
C 1.707760 1.687032 0.923527
C 0.407374 1.357985 0.160587
C -0.799247 2.072369 0.806259
C 6.728379 -0.638355 -0.651297
C -2.817559 0.591162 0.199823
C -3.899316 0.767515 -0.680932
C -2.727086 2.578285 -0.809328
C 6.995085 -2.096391 -0.336377
C -2.629878 -0.592610 0.998654
C -4.788765 -1.414931 -0.119174
C -5.991925 0.009110 -1.785861
C -3.624848 -2.825998 1.518639
C 7.305842 -3.045333 -1.254020
H 2.124794 -0.737892 -0.208775
H 3.105864 -0.686059 1.298201
H 4.309916 1.506692 1.859687
H 4.068301 2.890382 0.729699
H 4.354492 -1.856319 -0.485128
H 4.118972 -0.481287 -1.620513
H 5.294700 1.726247 -1.062205
H 6.300026 1.766686 0.433521
H 1.629444 1.293848 1.971260
H 1.809578 2.788980 0.999311
H 0.212464 0.271272 0.178494
H 0.521881 1.673068 -0.893398
H -0.660752 3.169376 0.786503
H -0.904046 1.749841 1.856722
H 7.569938 -0.029923 -0.259573
H 6.709024 -0.490793 -1.761744
H -2.368219 3.567275 -1.084398
H 6.937691 -2.355177 0.731197
H -6.622460 -0.891373 -1.762453
H -5.605161 0.179452 -2.804369
H -6.576137 0.892740 -1.478963
H -2.728599 -2.793926 2.154998
H -3.572993 -3.675213 0.817948
H -4.532762 -2.941025 2.132804
H 7.522747 -4.078662 -0.960994
H 7.355800 -2.813794 -2.325742


