%chk=000244828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244828

0 1
O 6.057875 -1.972413 -1.512537
O -6.438938 1.698347 1.825504
O 0.406452 0.285129 2.298718
N 0.501105 0.038948 1.088034
N -0.449727 -0.009549 0.227560
C 4.451465 -0.715783 -0.316933
C -4.576717 0.621479 0.843414
C 1.859905 -0.232471 0.562180
C 5.845436 -1.009365 -0.808223
C 3.394858 -0.707819 -1.235326
C 4.211411 -0.492951 1.046321
C 6.928527 -0.075564 -0.385784
C -1.826713 0.224653 0.533908
C 2.089360 -0.460046 -0.802417
C 2.913268 -0.252661 1.493420
C -6.039650 0.864631 1.038721
C -6.992261 0.041815 0.228507
C -4.053484 0.289811 -0.417844
C -3.717408 0.768778 1.940147
C -2.686765 0.092413 -0.580992
C -2.343903 0.563106 1.795556
C 6.664556 1.261896 -0.055178
C 8.247170 -0.557551 -0.353604
C -6.749661 -1.316337 -0.019828
C -8.165018 0.644740 -0.249393
C 7.712693 2.106665 0.317079
C 9.291455 0.288690 0.026524
C -7.672296 -2.064074 -0.755890
C -9.080452 -0.104312 -0.993543
C 9.024323 1.620003 0.362073
C -8.834184 -1.457696 -1.246581
H 3.590557 -0.907420 -2.292493
H 5.038295 -0.511241 1.759912
H 1.261330 -0.450689 -1.519584
H 2.704377 -0.078162 2.556230
H -4.721622 0.193254 -1.276395
H -4.129032 1.052254 2.913433
H -2.272469 -0.161636 -1.557220
H -1.678845 0.671456 2.658954
H 5.645068 1.648242 -0.094816
H 8.446502 -1.595765 -0.633319
H -5.846739 -1.790985 0.366835
H -8.358517 1.696948 -0.028903
H 7.508964 3.146153 0.571293
H 10.313310 -0.087894 0.056092
H -7.487455 -3.120130 -0.945899
H -9.988210 0.365186 -1.369507
H 9.839647 2.281372 0.656332
H -9.550243 -2.042353 -1.823338


%chk=000244828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244828

0 1
O 6.026747 -1.667604 -1.756470
O -6.522600 1.603768 1.800285
O 0.380711 0.640785 2.277675
N 0.498821 0.233512 1.026672
N -0.472958 0.019555 0.151102
C 4.500716 -0.449328 -0.362542
C -4.657371 0.493977 0.775904
C 1.862321 -0.014808 0.525008
C 5.883330 -0.766114 -0.871223
C 3.399205 -0.682144 -1.230770
C 4.252254 -0.013417 0.966531
C 7.079942 -0.031074 -0.340256
C -1.828109 0.219921 0.493764
C 2.080696 -0.457663 -0.801663
C 2.934662 0.198595 1.417528
C -6.130713 0.725411 0.966933
C -7.138781 -0.066177 0.182214
C -4.096035 0.069316 -0.462283
C -3.783387 0.795041 1.854896
C -2.707016 -0.058367 -0.600363
C -2.390183 0.655185 1.739886
C 7.006512 1.302881 0.146764
C 8.344318 -0.678098 -0.404673
C -6.893799 -1.393171 -0.265261
C -8.414608 0.518065 -0.045251
C 8.176534 1.970383 0.569720
C 9.507567 -0.016603 0.034056
C -7.904867 -2.115175 -0.936467
C -9.416004 -0.197210 -0.730250
C 9.426412 1.310399 0.523507
C -9.163153 -1.516763 -1.178940
H 3.602772 -1.048400 -2.241846
H 5.086269 0.129592 1.660198
H 1.225581 -0.618712 -1.460388
H 2.718224 0.521385 2.438474
H -4.746137 -0.126063 -1.320521
H -4.225113 1.149425 2.792036
H -2.258512 -0.368770 -1.549054
H -1.735262 0.876970 2.581192
H 6.046620 1.829581 0.160684
H 8.387719 -1.695350 -0.807612
H -5.931204 -1.872118 -0.057629
H -8.596933 1.530144 0.331037
H 8.114964 3.003379 0.928811
H 10.475949 -0.526701 -0.007442
H -7.714482 -3.143087 -1.263883
H -10.392215 0.265349 -0.911685
H 10.332166 1.827907 0.858776
H -9.943969 -2.076511 -1.705984


