%chk=000221705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221705

0 1
O -0.662117 -1.056136 0.393865
O 0.393016 -1.185522 -1.601382
C -4.426502 0.796583 0.162731
C -4.380762 -0.732655 0.367198
C -3.387154 1.227615 -0.893384
C -1.949598 -0.732962 -0.259652
C -2.978516 -1.198294 0.773271
C -1.976218 0.777629 -0.501539
C -5.832367 1.242047 -0.251592
C 0.441956 -1.243062 -0.394588
C 1.621209 -1.552339 0.491635
C 2.718828 -0.533830 0.344048
C 3.210181 -0.203791 -0.928686
C 3.270500 0.067960 1.483919
C 4.249405 0.719579 -1.056142
C 4.312710 0.990324 1.348411
C 4.804502 1.316631 0.081291
H -4.168106 1.289253 1.132583
H -4.697206 -1.247496 -0.559985
H -5.110529 -1.031056 1.142750
H -3.406787 2.326670 -1.015445
H -3.655669 0.809838 -1.882618
H -2.003005 -1.308045 -1.208238
H -2.708144 -0.798997 1.771744
H -2.945892 -2.299000 0.875182
H -1.249581 1.044152 -1.294551
H -1.636451 1.308482 0.409418
H -5.885665 2.329257 -0.376181
H -6.141937 0.790004 -1.200340
H -6.577965 0.964273 0.501324
H 2.011672 -2.561760 0.222594
H 1.286202 -1.634454 1.551289
H 2.766134 -0.660694 -1.817026
H 2.891232 -0.176715 2.473866
H 4.627384 0.975576 -2.045029
H 4.740515 1.456065 2.234748
H 5.615525 2.034569 -0.021088


%chk=000221705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221705

0 1
O -0.580172 -1.177371 0.479074
O 0.286795 -1.466999 -1.671214
C -4.387702 0.875229 0.130467
C -4.363881 -0.635035 0.484363
C -3.285749 1.191934 -0.914033
C -1.909546 -0.766227 -0.097939
C -2.965693 -1.101569 0.961659
C -1.884438 0.733220 -0.439750
C -5.780690 1.317196 -0.365184
C 0.434212 -1.480509 -0.425584
C 1.733383 -1.810554 0.303355
C 2.723332 -0.644366 0.249237
C 3.224100 -0.180547 -0.994815
C 3.157740 -0.016419 1.442429
C 4.147049 0.887399 -1.040166
C 4.083859 1.051566 1.397715
C 4.582405 1.506017 0.155737
H -4.147222 1.442245 1.056686
H -4.664627 -1.217339 -0.412342
H -5.114167 -0.851981 1.269172
H -3.266729 2.277928 -1.128324
H -3.538828 0.684465 -1.869023
H -2.066971 -1.357685 -1.021354
H -2.699873 -0.588888 1.906901
H -2.963569 -2.188631 1.164567
H -1.127869 0.928075 -1.220934
H -1.589562 1.299252 0.465891
H -5.802497 2.399958 -0.589996
H -6.057742 0.775718 -1.290484
H -6.561260 1.112196 0.391351
H 2.169237 -2.693986 -0.198508
H 1.505729 -2.074101 1.348126
H 2.878911 -0.651999 -1.922281
H 2.771076 -0.363492 2.408254
H 4.527404 1.236356 -2.006965
H 4.413657 1.525840 2.329047
H 5.300697 2.332800 0.119264


