%chk=000262977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262977

0 1
O 3.140135 -0.971452 0.300663
O -1.179438 1.787620 0.463264
O -1.994435 -1.482471 -0.182392
O 1.959924 4.114382 -0.371565
O 3.913654 2.923140 -2.187186
O -0.928731 3.274971 -1.211964
O -2.428279 -3.435141 0.853141
N 0.371600 -0.346419 0.095726
C 1.295388 0.638063 -0.193193
C 0.776636 -1.670727 0.392600
C 2.730024 0.243133 -0.235505
C 2.158691 -1.946967 0.505477
C 0.957864 1.946338 -0.458669
C -0.137451 -2.724172 0.606013
C 3.700789 1.028392 -0.754195
C 2.657460 -3.216571 0.851253
C 2.017360 2.954976 -0.676937
C 0.356838 -3.994544 0.962249
C 3.309064 2.362435 -1.314492
C 1.721450 -4.236839 1.085483
C 5.131050 0.647453 -0.828063
C -0.417255 2.453593 -0.493725
C 4.118455 -3.460061 0.974187
C -1.608664 -2.628369 0.475885
C -3.036821 1.523608 1.879196
C -3.481809 -0.392814 -1.655190
C -2.585379 2.186323 0.584267
C -3.435684 -1.311660 -0.443067
C -4.552337 1.663452 2.066862
C -4.914643 -0.255463 -2.184911
C -5.026951 0.944997 3.326641
C -4.979332 0.712710 -3.362338
H -0.652339 -0.107435 0.124728
H -0.362380 -4.803932 1.144635
H 2.072553 -5.231696 1.364449
H 5.688088 1.028965 0.043143
H 5.269670 -0.443885 -0.853549
H 5.611583 1.071352 -1.727704
H 4.433884 -4.355909 0.418546
H 4.409181 -3.610335 2.026617
H 4.719388 -2.615483 0.597123
H -2.738784 0.455230 1.878079
H -2.496738 1.970456 2.738900
H -2.810110 -0.778281 -2.449271
H -3.074083 0.611361 -1.388758
H -2.637371 3.288546 0.605677
H -3.102377 1.800959 -0.319931
H -3.883229 -2.306042 -0.623068
H -3.859898 -0.866771 0.473150
H -5.086600 1.261747 1.183112
H -4.826607 2.736484 2.123350
H -5.587716 0.093807 -1.376751
H -5.300778 -1.247167 -2.495657
H -4.544967 1.345255 4.226877
H -6.109426 1.055414 3.461624
H -4.809308 -0.128806 3.291310
H -4.357297 0.376156 -4.200586
H -6.004629 0.813200 -3.737503
H -4.633283 1.716495 -3.086457


%chk=000262977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262977

0 1
O 3.204531 -1.038729 0.155328
O -1.231764 1.691148 0.545716
O -1.988150 -1.435964 -0.103927
O 1.703509 4.245504 -0.587929
O 4.375855 3.468273 -0.814686
O -0.934047 3.227661 -1.188077
O -2.323547 -3.739017 0.076957
N 0.488772 -0.424119 0.028467
C 1.379885 0.625393 -0.135492
C 0.862253 -1.768176 0.176680
C 2.817227 0.286720 -0.110352
C 2.247818 -2.068633 0.267855
C 0.980003 1.950570 -0.354327
C -0.067065 -2.856456 0.251452
C 3.837279 1.186380 -0.316380
C 2.759497 -3.367977 0.471473
C 1.992893 3.016167 -0.520507
C 0.438896 -4.166658 0.456771
C 3.488833 2.597284 -0.572010
C 1.816678 -4.419481 0.573858
C 5.288483 0.774674 -0.293945
C -0.446611 2.369898 -0.424870
C 4.250093 -3.598125 0.570429
C -1.542678 -2.757896 0.078946
C -3.133090 1.698397 2.067668
C -3.585138 -0.747110 -1.869794
C -2.632321 2.187139 0.707848
C -3.440232 -1.240674 -0.426327
C -4.613681 2.081680 2.307009
C -5.053105 -0.379184 -2.196899
C -5.127312 1.604416 3.682094
C -5.218143 0.126501 -3.646030
H -0.525108 -0.216690 0.068752
H -0.288611 -4.981925 0.508589
H 2.173954 -5.441277 0.734377
H 5.575921 0.379547 0.698010
H 5.491467 -0.025437 -1.028987
H 5.916923 1.648276 -0.527146
H 4.473443 -4.666118 0.724073
H 4.687729 -3.023239 1.406863
H 4.767580 -3.257967 -0.345083
H -3.015335 0.599097 2.137328
H -2.499427 2.134547 2.862927
H -3.233051 -1.533011 -2.565214
H -2.939319 0.138916 -2.027299
H -2.619502 3.289532 0.636795
H -3.240879 1.801816 -0.132576
H -3.958980 -2.200102 -0.259559
H -3.797218 -0.493029 0.300915
H -5.244889 1.646230 1.504283
H -4.728246 3.181482 2.229970
H -5.403624 0.402489 -1.491286
H -5.702685 -1.262718 -2.034685
H -4.539975 2.056530 4.502761
H -6.186445 1.880590 3.832833
H -5.046414 0.505259 3.777483
H -4.909831 -0.647008 -4.373647
H -6.269105 0.391872 -3.859818
H -4.598397 1.024333 -3.826059


