%chk=000250768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250768

0 1
O -1.263729 1.151153 1.860831
O 3.010295 2.337556 0.776662
O -2.674001 -2.655468 0.697644
N -1.249367 -1.064862 -0.079578
N 2.122134 0.518858 -0.335061
N 0.847202 1.739581 1.311710
N 1.132438 -1.309108 -1.548344
C -2.244412 -0.609961 -1.100623
C -0.156983 -0.171069 0.174522
C -3.318891 0.314187 -0.509448
C 1.024179 -0.343469 -0.553255
C 3.415445 0.359147 -1.069942
C -4.213949 0.895676 -1.609819
C 4.279495 -0.744821 -0.442810
C -0.317068 0.890409 1.149029
C 2.055450 1.603729 0.615954
C -1.688445 -1.976533 0.923012
C -5.298737 1.798837 -1.026979
C 5.512629 -1.012613 -1.297532
C -0.855342 -2.110816 2.161395
H -1.695892 -0.104232 -1.922403
H -2.722297 -1.526863 -1.519826
H -2.850278 1.129579 0.078757
H -3.931919 -0.251530 0.222682
H 3.962083 1.337903 -1.024526
H 3.213960 0.173679 -2.146687
H -4.684510 0.074760 -2.186417
H -3.602243 1.468680 -2.333599
H 4.588556 -0.435497 0.579288
H 3.702689 -1.678074 -0.301578
H 0.781700 2.516256 1.988337
H -4.867553 2.636639 -0.466407
H -5.932582 2.219017 -1.815025
H -5.950606 1.249697 -0.336929
H 2.035913 -1.626630 -1.864287
H 0.381243 -1.992765 -1.621414
H 6.134758 -0.114385 -1.407080
H 6.147452 -1.783187 -0.840536
H 5.255448 -1.359392 -2.304489
H -1.021342 -1.244588 2.826479
H -1.150338 -3.009669 2.724080
H 0.219414 -2.171214 1.961812


%chk=000250768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250768

0 1
O -1.179454 1.180431 2.121867
O 3.172450 2.296487 0.844251
O -2.782840 -2.609300 0.756215
N -1.287491 -0.962996 0.072289
N 2.128097 0.511764 -0.277920
N 0.994612 1.691005 1.440794
N 1.060028 -1.333848 -1.350372
C -2.231261 -0.558908 -1.016462
C -0.158512 -0.119749 0.336231
C -3.333218 0.414025 -0.542051
C 1.007626 -0.316267 -0.424565
C 3.363378 0.325016 -1.084271
C -4.249089 0.847314 -1.708657
C 4.305319 -0.763405 -0.517395
C -0.212840 0.920742 1.343473
C 2.159153 1.558969 0.691449
C -1.713382 -1.964672 0.969906
C -5.385496 1.785493 -1.246822
C 5.553539 -0.941344 -1.407468
C -0.829036 -2.221369 2.182319
H -1.632697 -0.094014 -1.823577
H -2.703023 -1.480032 -1.405062
H -2.871582 1.301638 -0.069428
H -3.933218 -0.088057 0.239206
H 3.886097 1.295727 -1.069698
H 3.081881 0.116926 -2.134900
H -4.686772 -0.053027 -2.187216
H -3.643661 1.355074 -2.488558
H 4.610251 -0.459449 0.500761
H 3.771188 -1.728618 -0.414749
H 0.998203 2.434284 2.145872
H -4.977762 2.704130 -0.785028
H -6.031720 2.087244 -2.091777
H -6.022504 1.287308 -0.492628
H 1.892540 -1.556465 -1.885556
H 0.241704 -1.939778 -1.407211
H 6.121016 0.003786 -1.489643
H 6.231923 -1.703225 -0.985398
H 5.283103 -1.262923 -2.431480
H -0.968766 -1.407037 2.916822
H -1.139294 -3.171845 2.641193
H 0.243509 -2.262436 1.922841


