%chk=000266884.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266884

0 1
S 1.628625 0.328189 1.284479
O 0.621207 -0.083854 2.234532
O 2.403061 1.536685 1.491007
O -0.176144 3.527601 -0.352146
O -0.869019 2.467566 -2.234506
N 0.870952 0.545415 -0.251623
C 0.153300 -0.530616 -0.889679
C 1.170024 1.735519 -1.061475
C -1.242685 -0.678830 -0.760725
C 2.708970 -0.992214 1.028692
C 0.896341 -1.455791 -1.652155
C -2.122591 0.263297 -0.030519
C -1.860680 -1.782196 -1.380688
C 4.035184 -0.746191 0.654561
C 2.274689 -2.308361 1.223307
C 0.261988 -2.536947 -2.259297
C -0.089557 2.565387 -1.316728
C -1.120651 -2.704205 -2.118328
C 4.482659 -3.130847 0.643703
C 4.918539 -1.806327 0.457166
C 3.152642 -3.374514 1.028251
C -2.147471 0.297188 1.369683
C -2.995710 1.084559 -0.764866
C 5.422012 -4.267903 0.422254
C -3.047950 1.138994 2.030256
C -3.898789 1.915271 -0.098877
C -3.928749 1.941637 1.300147
C -1.317305 4.443493 -0.371612
C -1.126452 5.486903 -1.452644
H 1.925580 2.377670 -0.529533
H 1.594674 1.454707 -2.055156
H 1.971533 -1.322546 -1.766263
H -2.940522 -1.906495 -1.280684
H 4.386147 0.284555 0.526585
H 1.242520 -2.505423 1.536107
H 0.840413 -3.248372 -2.846156
H -1.618577 -3.549403 -2.590711
H 5.948287 -1.607690 0.166040
H 2.806347 -4.395439 1.179166
H -1.450956 -0.318296 1.950594
H -2.947275 1.087525 -1.855452
H 5.398991 -4.593501 -0.629782
H 6.464076 -4.004475 0.653106
H 5.173234 -5.146453 1.034445
H -3.056566 1.166515 3.118735
H -4.581632 2.540189 -0.670808
H -4.635279 2.586342 1.817739
H -1.263396 4.856631 0.652585
H -2.238337 3.847712 -0.506670
H -1.180614 5.032816 -2.453755
H -0.148631 5.977934 -1.370578
H -1.897158 6.264086 -1.399724


%chk=000266884-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266884

0 1
S 1.694619 0.212336 1.473996
O 0.645897 -0.359936 2.576335
O 2.612371 1.535953 1.739647
O -0.235299 3.559804 -0.374434
O -0.352678 2.660611 -2.527110
N 0.593032 0.690017 -0.076640
C 0.012132 -0.434819 -0.765202
C 1.249054 1.742421 -0.882787
C -1.408114 -0.625902 -0.715908
C 2.885795 -1.211861 1.096864
C 0.823919 -1.297448 -1.553591
C -2.351203 0.291838 -0.006829
C -1.947469 -1.713740 -1.459109
C 4.173226 -0.892872 0.634952
C 2.450195 -2.525860 1.331651
C 0.264163 -2.372060 -2.268893
C 0.146908 2.690793 -1.378400
C -1.133670 -2.581625 -2.214101
C 4.669408 -3.310526 0.586706
C 5.063091 -1.960371 0.382602
C 3.359715 -3.573989 1.070638
C -2.166411 0.690052 1.344518
C -3.499699 0.759524 -0.706172
C 5.626432 -4.449162 0.286238
C -3.108633 1.534428 1.971919
C -4.437200 1.607005 -0.076817
C -4.245579 1.997291 1.269092
C -1.410353 4.445462 -0.659015
C -0.972783 5.714803 -1.394001
H 1.935481 2.301552 -0.218641
H 1.787149 1.351456 -1.768373
H 1.903436 -1.112806 -1.603347
H -3.029054 -1.883188 -1.420684
H 4.478492 0.151911 0.516092
H 1.446485 -2.715696 1.724149
H 0.904243 -3.033321 -2.862604
H -1.588132 -3.415548 -2.760312
H 6.078854 -1.740273 0.034467
H 3.048076 -4.609289 1.250230
H -1.296113 0.334181 1.904172
H -3.639448 0.482243 -1.757608
H 5.520129 -4.786127 -0.763200
H 6.677696 -4.144226 0.427366
H 5.432542 -5.323099 0.931712
H -2.952707 1.826126 3.016612
H -5.310840 1.961902 -0.635489
H -4.974014 2.650060 1.763956
H -1.811047 4.658216 0.344271
H -2.145859 3.865382 -1.243429
H -0.593176 5.474869 -2.401145
H -0.186447 6.245092 -0.829321
H -1.837316 6.395917 -1.503021


