%chk=000267449.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267449

0 1
O -3.765757 -1.915760 0.967282
O -0.572944 0.209454 1.703096
O -2.633747 -1.507069 -0.950686
O 3.459736 -0.007711 0.500623
O 2.489940 0.796304 -1.426012
N -1.996931 1.112776 0.185583
N 1.703580 1.384855 0.697451
C -3.163231 0.327289 0.652825
C -4.387868 1.072104 0.084618
C -3.875158 1.846395 -1.144665
C -2.344207 1.956816 -0.993929
C -0.735489 0.961489 0.754757
C -3.105819 -1.097693 0.078234
C 0.389843 1.822655 0.182240
C 4.604885 -0.680825 -0.194613
C 4.033201 -1.738211 -1.125506
C 5.326362 -1.270477 1.013405
C 5.415953 0.383482 -0.916818
C 2.537577 0.698577 -0.214363
C -3.809936 -3.333404 0.652404
H -3.164051 0.265563 1.774934
H -5.209748 0.382890 -0.177197
H -4.795422 1.763675 0.845577
H -4.345858 2.841266 -1.214897
H -4.132799 1.308755 -2.076631
H -2.024996 3.003894 -0.813502
H -1.821612 1.582817 -1.901794
H 0.239151 2.886409 0.491636
H 0.394649 1.812036 -0.938542
H 1.684609 1.032015 1.666128
H 3.349858 -2.415305 -0.598672
H 4.821355 -2.344662 -1.582126
H 3.454197 -1.277807 -1.943718
H 6.208952 -1.841512 0.708838
H 5.650073 -0.485178 1.708583
H 4.667169 -1.939576 1.582583
H 4.840192 0.829150 -1.744925
H 6.335517 -0.029942 -1.342820
H 5.695219 1.204630 -0.246060
H -2.823730 -3.763877 0.854725
H -4.569691 -3.711397 1.343934
H -4.092526 -3.482987 -0.394579


%chk=000267449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267449

0 1
O -4.547327 -1.473807 1.518457
O -0.805396 -0.567394 1.323563
O -3.621767 -1.593478 -0.618637
O 3.667458 -0.468672 0.226375
O 2.919443 0.965065 -1.524088
N -2.132377 0.797571 0.000924
N 1.465243 0.010382 0.031679
C -3.352227 0.461612 0.763666
C -4.380586 1.511624 0.250915
C -3.944581 1.748815 -1.218159
C -2.398645 1.698995 -1.152311
C -0.926584 0.230275 0.336647
C -3.813953 -0.971526 0.448583
C 0.272794 0.611523 -0.542134
C 5.133609 -0.399568 -0.166427
C 5.315645 -0.980155 -1.583965
C 5.788469 -1.297741 0.897815
C 5.628412 1.057369 -0.057571
C 2.705812 0.233964 -0.514109
C -5.075559 -2.850653 1.347528
H -3.171160 0.527264 1.848332
H -5.420689 1.160657 0.347119
H -4.273081 2.436797 0.845433
H -4.310426 2.706954 -1.622273
H -4.316416 0.932143 -1.860473
H -1.968338 2.703174 -0.965399
H -1.955763 1.298263 -2.081233
H 0.375779 1.713489 -0.608796
H 0.102223 0.255463 -1.580064
H 1.332927 -0.596675 0.847544
H 4.895781 -2.000487 -1.637604
H 6.393480 -1.037188 -1.823938
H 4.817043 -0.346430 -2.334112
H 6.879307 -1.347233 0.729863
H 5.604000 -0.897082 1.909529
H 5.376396 -2.320400 0.848208
H 5.127655 1.696927 -0.801274
H 6.719475 1.091208 -0.233433
H 5.428980 1.455255 0.953445
H -4.238993 -3.558620 1.227762
H -5.637194 -3.051904 2.269968
H -5.728374 -2.903876 0.460050


