%chk=000269378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269378

0 1
S 0.105854 -1.546508 -1.489661
O 1.663329 -0.099659 0.744960
O -1.906752 0.623943 -0.018508
O -1.352391 0.318013 -2.372258
O 1.160762 -3.608751 -0.423187
O 1.583012 1.888270 1.815285
O -1.966777 1.021418 2.213307
O -0.917808 2.475816 -2.908032
O 3.273392 -2.866952 -0.800005
C 0.225991 -0.278649 0.858371
C -0.462430 0.715412 -0.108491
C -0.019832 -1.695041 0.337266
C -0.176078 0.257065 -1.550083
C 1.018537 -2.735535 0.734196
C 2.258489 1.026540 1.306912
C -2.563907 0.860205 1.176587
C -1.647337 1.520222 -3.003893
C 3.723923 0.946424 1.141922
C -4.024516 0.831406 0.929531
C 2.329513 -3.525058 -1.165416
C -2.920952 1.357680 -3.752988
C 4.504599 1.968847 1.711107
C 4.332527 -0.105168 0.440437
C -4.880130 1.272460 1.951785
C -4.547246 0.370527 -0.288883
C 2.187864 -4.393266 -2.364227
C 5.892427 1.932102 1.577797
C 5.724056 -0.132710 0.312275
C -6.261714 1.252275 1.749210
C -5.930173 0.351178 -0.481097
C 6.501431 0.881618 0.878855
C -6.785160 0.792009 0.535668
H -0.077886 -0.110991 1.919056
H -0.170245 1.771021 0.100396
H -1.052616 -2.024183 0.603065
H 0.662127 0.809853 -2.025284
H 0.670621 -3.414620 1.531874
H 2.000937 -2.289655 1.003885
H -2.824225 1.746173 -4.779401
H -3.240360 0.304441 -3.814526
H -3.730906 1.924426 -3.264805
H 4.016680 2.783826 2.252193
H 3.719377 -0.902317 -0.006415
H -4.458858 1.626570 2.896735
H -3.863840 0.029276 -1.074733
H 3.037682 -5.087623 -2.450939
H 1.258619 -4.986597 -2.348361
H 2.168675 -3.781395 -3.282065
H 6.501998 2.720643 2.016287
H 6.197036 -0.950301 -0.231889
H -6.931007 1.594534 2.537786
H -6.343620 -0.009977 -1.421455
H 7.586540 0.856702 0.776683
H -7.864633 0.776059 0.382074


%chk=000269378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269378

0 1
S -0.007533 -1.148779 -1.989274
O 1.759503 0.309049 0.419461
O -1.905913 0.397311 0.258566
O -1.485619 1.180229 -2.313425
O 0.957262 -3.810069 -0.580064
O 2.295881 -0.411794 2.576752
O -2.553839 2.644773 0.239394
O -0.171861 2.679449 -3.551572
O 3.072419 -4.671927 -0.117990
C 0.383411 -0.223242 0.597610
C -0.526989 0.804059 -0.083193
C 0.205816 -1.572723 -0.132919
C -0.301645 0.691785 -1.607644
C 1.361576 -2.540930 0.082325
C 2.639339 0.168854 1.519399
C -2.861755 1.433841 0.336374
C -1.293300 2.215938 -3.266374
C 3.965135 0.781707 1.248584
C -4.230958 0.901385 0.568132
C 1.940403 -4.811444 -0.630027
C -2.631028 2.636600 -3.821296
C 4.944152 0.719658 2.275808
C 4.269495 1.411393 0.012658
C -5.264755 1.832647 0.851588
C -4.524107 -0.485589 0.498262
C 1.435826 -6.013892 -1.395612
C 6.216883 1.287272 2.069233
C 5.545475 1.977450 -0.187617
C -6.580615 1.378834 1.071230
C -5.843827 -0.933769 0.715309
C 6.519289 1.917379 0.837883
C -6.872223 -0.005061 1.003905
H 0.171704 -0.323431 1.677075
H -0.349481 1.836218 0.265893
H -0.741282 -2.025865 0.205217
H 0.581561 1.269496 -1.924428
H 1.530587 -2.731790 1.158871
H 2.299141 -2.175038 -0.369022
H -2.485885 3.352834 -4.642420
H -3.194250 1.756957 -4.174847
H -3.225187 3.108509 -3.018370
H 4.688024 0.225722 3.218798
H 3.511358 1.450299 -0.774022
H -5.015902 2.898139 0.895883
H -3.722726 -1.191593 0.265022
H 1.935720 -6.923090 -1.028415
H 0.342844 -6.109542 -1.308942
H 1.684469 -5.893033 -2.466037
H 6.971657 1.239159 2.861109
H 5.781760 2.463345 -1.140043
H -7.376735 2.097144 1.293840
H -6.072467 -2.003260 0.657596
H 7.509664 2.357915 0.677627
H -7.895872 -0.357489 1.173051


