%chk=000196312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196312

0 1
O 1.574369 2.037384 -1.686893
O 3.890755 2.223999 2.456456
O 5.275657 -3.051060 -0.141054
O 5.246571 0.440910 2.336673
O 3.362388 -2.368381 -1.074881
O -5.079759 -1.497584 -1.016198
O -5.621025 0.479144 2.730499
O -7.697043 -0.326211 2.501962
N 4.053337 0.316442 -0.406456
N 1.235661 -0.229397 -1.332559
N -5.031882 0.464873 0.146780
C 3.512906 0.612589 -1.765187
C 4.491641 1.567819 0.275771
C 5.112997 -0.729364 -0.432156
C 2.013450 0.909317 -1.582990
C -0.177071 -0.252311 -1.141065
C -2.942514 -0.429397 -0.761374
C -0.765415 -1.497582 -0.821383
C -0.978015 0.896566 -1.279288
C 4.608226 1.290047 1.760730
C 4.435315 -2.071073 -0.598988
C -2.142034 -1.578587 -0.642704
C -2.354795 0.799835 -1.091598
C -4.411409 -0.579817 -0.572089
C -6.454319 0.347757 0.495286
C -6.704320 0.101436 1.968432
H 3.649017 -0.252846 -2.454005
H 3.984860 1.484497 -2.271600
H 3.709718 2.359940 0.105020
H 5.455781 1.990637 -0.088836
H 5.890852 -0.603798 -1.218777
H 5.669896 -0.732056 0.552054
H 1.735813 -1.128299 -1.179438
H -0.152087 -2.392135 -0.722067
H -0.523546 1.860930 -1.534077
H -2.610632 -2.539968 -0.413761
H -2.975017 1.689925 -1.216271
H -4.485876 1.093962 0.734591
H -6.926150 -0.491451 -0.094979
H -6.993021 1.281802 0.195214
H 3.934848 2.093267 3.445252
H 4.887378 -3.967288 -0.219878
H -5.763407 0.320225 3.702731


%chk=000196312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196312

0 1
O 1.351394 2.544611 -1.703802
O 4.662781 0.887299 2.881540
O 5.182281 -3.010023 -1.245665
O 4.471275 -1.069685 1.642473
O 3.066145 -2.099397 -1.008365
O -4.302349 -2.209196 0.819413
O -6.724364 1.953283 0.387614
O -8.574570 0.695765 1.024459
N 4.229025 0.518295 -0.776295
N 1.400270 0.306259 -0.943736
N -5.019478 -0.042522 0.475319
C 3.487054 1.336800 -1.741569
C 4.525082 1.146516 0.506565
C 5.042379 -0.602047 -1.221640
C 1.965758 1.463328 -1.448352
C 0.043945 0.059509 -0.615780
C -2.640930 -0.583278 0.092877
C -0.290089 -1.248823 -0.163054
C -0.975473 1.046126 -0.719131
C 4.533608 0.176744 1.685698
C 4.302802 -1.944688 -1.125506
C -1.613290 -1.558813 0.183748
C -2.297802 0.715873 -0.365684
C -4.026694 -1.008770 0.484697
C -6.385979 -0.407649 0.836205
C -7.355601 0.756310 0.771668
H 3.594248 0.889969 -2.748457
H 3.867141 2.377247 -1.808138
H 3.759369 1.913647 0.721707
H 5.505217 1.682458 0.525630
H 5.358856 -0.483558 -2.279469
H 5.972464 -0.696225 -0.632989
H 2.051680 -0.495050 -0.829319
H 0.494303 -2.011002 -0.092807
H -0.717249 2.044032 -1.078103
H -1.889459 -2.559785 0.530346
H -3.056503 1.501165 -0.470542
H -4.839213 0.932793 0.238225
H -6.428633 -0.833918 1.858469
H -6.769338 -1.212134 0.177709
H 4.683458 0.255340 3.650483
H 4.689391 -3.873025 -1.187640
H -7.390811 2.690916 0.358093


