%chk=000268547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268547

0 1
S 3.327209 -1.447563 0.113489
O -3.323639 -1.956892 -0.754307
O -6.749992 1.453922 0.485651
O -4.970068 2.616260 -0.211730
C 1.043432 -0.178830 -0.123290
C 2.083455 0.853809 -0.101444
C 1.576979 -1.485348 -0.016277
C 3.381299 0.307039 0.024947
C 0.769121 -2.624435 -0.023321
C -0.338591 -0.004205 -0.231475
C -1.163370 -1.136493 -0.232466
C -0.615254 -2.428378 -0.138320
C 4.526293 1.104358 0.067911
C 1.926315 2.240498 -0.187799
C -2.652146 -1.031895 -0.348670
C 1.354527 -3.990038 0.082323
C 4.346040 2.495184 -0.020020
C -3.281432 0.278841 0.082912
C 3.065902 3.049356 -0.145862
C 5.882298 0.501404 0.201209
C -4.804324 0.183792 0.125931
C -5.432091 1.542195 0.094514
H -0.751725 0.998991 -0.321477
H -1.290486 -3.289280 -0.165095
H 0.938014 2.682095 -0.286657
H 1.921171 -4.114399 1.018381
H 0.593265 -4.781929 0.060979
H 2.050354 -4.194002 -0.747017
H -2.883750 0.588273 1.072499
H -2.970799 1.088027 -0.620084
H 5.213186 3.153020 0.009469
H 2.957725 4.132253 -0.212607
H 6.682181 1.253434 0.222476
H 5.971195 -0.087480 1.127552
H 6.103749 -0.178317 -0.636605
H -5.181147 -0.423218 -0.737400
H -5.148328 -0.387611 1.017390
H -7.217966 2.331159 0.462989


%chk=000268547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268547

0 1
S 3.415879 -1.511551 -0.024400
O -3.402896 -2.119181 -0.106542
O -6.847289 1.585970 0.254675
O -4.991018 2.528221 -0.768759
C 1.052583 -0.191640 0.000270
C 2.082618 0.849472 0.018762
C 1.597867 -1.510751 -0.025496
C 3.405160 0.317955 0.009615
C 0.793302 -2.677918 -0.050576
C -0.351448 -0.035922 0.005845
C -1.186415 -1.179140 -0.018509
C -0.601250 -2.481243 -0.048248
C 4.566553 1.124169 0.024373
C 1.916256 2.257189 0.042916
C -2.681411 -1.078783 -0.022971
C 1.410228 -4.060900 -0.079421
C 4.359143 2.524854 0.049098
C -3.325384 0.309531 0.059829
C 3.054675 3.084934 0.057921
C 5.955069 0.517535 0.013821
C -4.855500 0.238194 0.168804
C -5.511301 1.558695 -0.170506
H -0.780218 0.971096 0.022209
H -1.280640 -3.340431 -0.070654
H 0.912673 2.696177 0.048025
H 2.050251 -4.232153 0.807289
H 0.634573 -4.843621 -0.097001
H 2.051854 -4.193940 -0.971502
H -2.900957 0.865735 0.917380
H -3.046729 0.894000 -0.840061
H 5.232677 3.187139 0.060921
H 2.935849 4.173472 0.075791
H 6.733125 1.298671 0.026586
H 6.113790 -0.136501 0.892631
H 6.113127 -0.106716 -0.886496
H -5.243375 -0.536127 -0.521893
H -5.184650 -0.084687 1.171443
H -7.258169 2.451795 -0.016473


