%chk=000286813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286813

0 1
S -5.377077 -2.354654 0.852260
O 0.685161 -0.588778 -1.133653
O 1.669618 2.035592 1.068258
O 0.057235 2.651381 -1.726317
O 3.355187 -1.678377 0.331234
O -2.673012 -0.348800 -2.714088
O -0.749825 -0.151379 1.491370
O 3.905858 2.179919 0.757054
O -1.792219 3.661865 -0.893102
O 3.424211 -3.215025 -1.335442
N -1.616220 -0.242154 -0.636073
N -3.809960 -1.242184 -0.948787
C 1.517966 1.457892 -0.250959
C 0.047601 1.681741 -0.652109
C 1.659410 -0.081491 -0.165284
C -0.395148 0.333413 -1.286296
C 3.014846 -0.618315 -0.605923
C -2.668839 -0.587359 -1.523202
C -1.672148 -0.514483 0.794742
C 2.954356 2.360450 1.478183
C -0.945691 3.618207 -1.748116
C -2.876132 -1.191965 1.252222
C -3.881211 -1.532558 0.411899
C 3.494893 -2.964908 -0.157878
C 2.880223 2.917875 2.852184
C -0.734361 4.471096 -2.944863
C 3.756328 -3.874462 0.991402
C -5.277173 -2.579402 2.631658
H 2.230338 1.945207 -0.953639
H -0.583797 2.033934 0.198383
H 1.357852 -0.463829 0.843364
H -0.562285 0.405998 -2.396166
H 2.993876 -1.006849 -1.646164
H 3.832355 0.120735 -0.472787
H -4.569734 -1.487630 -1.596407
H -2.892141 -1.396529 2.322320
H 1.850005 2.919764 3.250006
H 3.503382 2.329622 3.545917
H 3.252338 3.954583 2.877413
H -1.575956 4.366530 -3.650630
H -0.675282 5.535094 -2.663985
H 0.188377 4.213845 -3.492313
H 3.858597 -3.330003 1.944000
H 4.678962 -4.453122 0.829055
H 2.932605 -4.596963 1.106498
H -4.433744 -3.217821 2.928988
H -5.205003 -1.625992 3.173518
H -6.205524 -3.078315 2.953857


%chk=000286813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286813

0 1
S -5.639564 -2.108771 0.542813
O 0.876107 -0.766311 -0.725798
O 1.900355 2.208943 1.177813
O 0.066593 2.613892 -1.428371
O 3.283697 -2.038842 0.552931
O -2.301297 -0.464435 -2.791793
O -0.857223 -0.222568 1.685910
O 4.111974 2.549223 0.500948
O -2.225253 2.745797 -1.010232
O 4.154978 -2.851024 -1.462790
N -1.529164 -0.368931 -0.556138
N -3.698177 -1.185782 -1.082381
C 1.639916 1.384434 -0.021939
C 0.164940 1.538272 -0.409175
C 1.802259 -0.131752 0.256934
C -0.223610 0.161406 -1.019254
C 3.204557 -0.663196 -0.001122
C -2.481832 -0.654602 -1.559760
C -1.756156 -0.549321 0.852433
C 3.185681 2.767483 1.311569
C -1.220456 3.146271 -1.637424
C -3.045243 -1.112022 1.221628
C -3.984441 -1.414102 0.261455
C 3.745237 -3.055274 -0.300407
C 3.242207 3.640708 2.542637
C -1.186128 4.202098 -2.715802
C 3.659182 -4.391215 0.404887
C -5.677411 -2.226187 2.415588
H 2.298996 1.713647 -0.846936
H -0.452153 1.798761 0.463430
H 1.456090 -0.359635 1.280590
H -0.314145 0.231591 -2.115860
H 3.436985 -0.688792 -1.080381
H 3.955177 -0.052335 0.527945
H -4.385994 -1.376902 -1.815265
H -3.216974 -1.265288 2.285590
H 2.829543 3.104526 3.413277
H 4.281398 3.942177 2.736489
H 2.622841 4.542352 2.389195
H -1.273215 3.712351 -3.703210
H -2.038710 4.886480 -2.592828
H -0.235670 4.757305 -2.697032
H 4.157424 -4.340163 1.387585
H 4.124906 -5.169126 -0.216814
H 2.600073 -4.646712 0.584705
H -4.896533 -2.915583 2.769104
H -5.561033 -1.226717 2.859991
H -6.671633 -2.630735 2.656866


