%chk=000186927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186927

0 1
S 2.935670 -0.708260 0.812971
O -1.262797 -2.513217 0.475019
O 0.430812 -3.632422 1.436642
C -1.438472 -1.481969 -0.583326
C -0.009818 -1.214734 -1.046542
C -2.062996 -0.260645 0.058196
C 0.863314 -1.947049 -0.338043
C -2.318199 -2.125938 -1.639220
C 0.099562 -2.804601 0.638727
C 2.332263 -1.963314 -0.371084
C -2.223916 0.912396 -0.694537
C -2.486270 -0.298185 1.392696
C -2.801167 2.041688 -0.108724
C -3.062502 0.834957 1.974326
C -3.220094 2.005089 1.225887
C 2.489825 0.813155 0.041056
C 3.413981 1.455127 -0.786291
C 1.246379 1.382332 0.322670
C 3.081897 2.694271 -1.343825
C 0.920858 2.620753 -0.242448
C 1.837030 3.274527 -1.072731
H 0.190574 -0.502064 -1.829533
H -1.842686 -3.014429 -2.075162
H -3.266881 -2.464689 -1.193824
H -2.561478 -1.432243 -2.451584
H 2.740396 -1.777816 -1.383196
H 2.751801 -2.935552 -0.023824
H -1.901714 0.948084 -1.733450
H -2.363321 -1.217771 1.973308
H -2.929290 2.950670 -0.693935
H -3.389382 0.802473 3.013100
H -3.670320 2.886364 1.680002
H 4.385233 1.004049 -0.992228
H 0.531792 0.875541 0.975659
H 3.794107 3.209012 -1.986514
H -0.047761 3.072425 -0.029819
H 1.583372 4.240482 -1.507518


%chk=000186927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186927

0 1
S 3.031195 -0.733754 0.963837
O -1.298310 -2.604834 0.445098
O 0.530620 -3.731657 1.377765
C -1.490665 -1.539807 -0.591823
C -0.064907 -1.218156 -1.031375
C -2.159446 -0.314250 0.055889
C 0.839083 -1.965491 -0.338301
C -2.350860 -2.159596 -1.714611
C 0.095801 -2.868955 0.596247
C 2.329061 -1.948898 -0.362083
C -2.454500 0.822335 -0.740284
C -2.475740 -0.293143 1.435525
C -3.054943 1.963305 -0.165403
C -3.076899 0.850823 2.009291
C -3.367984 1.982323 1.214129
C 2.604909 0.861329 0.137992
C 3.483418 1.410348 -0.828028
C 1.417464 1.545921 0.491665
C 3.169962 2.643860 -1.443484
C 1.108951 2.781729 -0.126133
C 1.982166 3.330504 -1.093430
H 0.150942 -0.457894 -1.784480
H -1.841551 -3.038923 -2.143887
H -3.324057 -2.473877 -1.302459
H -2.531691 -1.425942 -2.519362
H 2.743172 -1.635451 -1.331764
H 2.746712 -2.923647 -0.061371
H -2.214420 0.826254 -1.810677
H -2.260103 -1.174268 2.046030
H -3.280430 2.833133 -0.792573
H -3.321157 0.853899 3.077415
H -3.836651 2.865913 1.661383
H 4.408651 0.880777 -1.079823
H 0.746574 1.119041 1.243827
H 3.854331 3.070635 -2.185191
H 0.187237 3.305365 0.150443
H 1.743868 4.289547 -1.567089


