%chk=000221296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221296

0 1
O 0.354569 -1.114169 -1.833440
O 2.072734 1.073654 0.218776
O 2.797711 -1.006430 -0.320883
C -0.342198 -1.077800 0.551045
C -1.851869 -1.056270 0.245138
C -2.475611 0.326488 0.472793
C 0.157660 -2.516610 0.788447
C 0.418713 -0.394596 -0.612068
C -3.973578 0.322664 0.139707
C -0.242062 -3.043355 2.163647
C -4.604512 1.702691 0.372874
C 1.899268 -0.204005 -0.248689
C -6.095420 1.704253 0.042779
C 3.421369 1.498161 0.592691
C 4.012944 2.255502 -0.554236
C 5.189077 2.872548 -0.483138
H -0.149617 -0.476832 1.476456
H -2.367451 -1.804419 0.879479
H -2.020548 -1.383814 -0.801717
H -1.957880 1.084578 -0.147524
H -2.325021 0.641494 1.523534
H -0.237336 -3.188927 0.001350
H 1.264276 -2.557732 0.692504
H -0.049399 0.587511 -0.881606
H -4.496444 -0.436597 0.752294
H -4.125350 0.014810 -0.913164
H 0.093218 -4.078439 2.300678
H -1.329630 -3.029811 2.305040
H 0.200690 -2.448264 2.970937
H -4.454691 2.012882 1.425505
H -4.085245 2.462897 -0.243240
H 0.778261 -2.002384 -1.744073
H -6.647509 0.988488 0.662294
H -6.277150 1.438484 -1.004952
H -6.537145 2.692822 0.211084
H 4.024384 0.611553 0.873626
H 3.224950 2.132381 1.478053
H 3.397046 2.261846 -1.457522
H 5.617528 3.418969 -1.312457
H 5.818169 2.881677 0.395278


%chk=000221296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221296

0 1
O 0.158580 -1.300281 -1.953815
O 2.180856 0.724437 0.332935
O 2.760701 -0.925517 -1.214624
C -0.299133 -1.020587 0.488077
C -1.839802 -0.999822 0.302430
C -2.475919 0.408126 0.355106
C 0.233266 -2.443786 0.811564
C 0.387082 -0.442538 -0.792850
C -4.016858 0.375095 0.236387
C -0.102406 -2.914626 2.243908
C -4.663005 1.778410 0.281649
C 1.892230 -0.252840 -0.599899
C -6.202291 1.736170 0.166871
C 3.646008 0.982974 0.605988
C 4.225019 1.924289 -0.416645
C 4.670265 3.169731 -0.118397
H -0.031390 -0.339974 1.324463
H -2.302336 -1.620504 1.095285
H -2.080625 -1.485328 -0.664075
H -2.072854 1.042321 -0.461418
H -2.192168 0.906397 1.306223
H -0.182823 -3.154537 0.071848
H 1.334648 -2.472068 0.683355
H -0.056515 0.544538 -1.021292
H -4.435370 -0.246788 1.055602
H -4.300431 -0.128399 -0.711289
H 0.301484 -3.926526 2.431084
H -1.192821 -2.956258 2.418476
H 0.333156 -2.232081 2.998307
H -4.374289 2.282305 1.226854
H -4.246497 2.396895 -0.539559
H 1.018961 -1.757949 -2.161197
H -6.645024 1.149337 0.994021
H -6.514796 1.262790 -0.783186
H -6.640932 2.750562 0.199529
H 4.162294 0.005930 0.592514
H 3.646613 1.414557 1.618308
H 4.290540 1.537717 -1.442002
H 5.109410 3.819266 -0.883320
H 4.614072 3.574461 0.900083


