%chk=000298059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298059

0 1
S 3.900284 -1.589477 -1.398516
S -2.007967 -0.297464 -0.429328
O 4.013159 -2.027487 0.234976
O -2.334854 -1.733333 0.380838
O 2.815555 -2.386731 -1.930643
O 5.227935 -1.750979 -1.937390
O -2.323088 -0.536486 -1.815558
O -0.662732 0.106919 -0.071668
C 0.903039 -2.737410 0.347195
C 2.052541 -2.938036 1.342800
C -0.444615 -3.138608 0.953282
C 3.392621 -3.247328 0.670029
C -1.619929 -2.927662 -0.000838
C 3.496308 0.063622 -1.260320
C -3.171932 0.707136 0.323753
C 2.223951 0.448635 -0.822871
C -4.431689 0.880535 -0.265770
C 4.446694 1.044024 -1.583962
C -2.872268 1.352465 1.529677
C 2.843411 2.783137 -1.042932
C -5.087316 2.342113 1.557376
C 1.897426 1.801609 -0.715348
C -5.384579 1.693344 0.344228
C 4.126148 2.394217 -1.478750
C -3.822239 2.166971 2.145079
C 2.507446 4.233667 -0.938692
C -6.115265 3.204339 2.207389
H 1.095107 -3.307693 -0.587769
H 0.870019 -1.666885 0.024280
H 2.165596 -2.030425 1.970834
H 1.816943 -3.761654 2.045401
H -0.631114 -2.558475 1.882031
H -0.414278 -4.200879 1.266836
H 3.287927 -3.958156 -0.170906
H 4.126114 -3.645290 1.400057
H -1.326256 -2.880886 -1.065337
H -2.393143 -3.712568 0.122049
H 1.458587 -0.308072 -0.555445
H -4.667164 0.380637 -1.213386
H 5.445668 0.744169 -1.923255
H -1.886616 1.223690 1.991246
H 0.895236 2.070533 -0.376598
H -6.361731 1.825574 -0.117754
H 4.865451 3.150291 -1.733266
H -3.582425 2.665018 3.082961
H 2.546937 4.720856 -1.924807
H 1.502486 4.411005 -0.533064
H 3.217212 4.765057 -0.287843
H -6.484297 3.982065 1.521345
H -6.990703 2.612797 2.518865
H -5.743401 3.719358 3.103691


%chk=000298059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298059

0 1
S 4.083007 -1.248102 -1.532900
S -2.115970 -0.769406 -0.343965
O 3.419669 -1.961202 0.073256
O -2.038927 -1.789745 1.220895
O 3.243831 -1.955277 -2.730054
O 5.702769 -1.302355 -1.559928
O -2.894327 -1.645740 -1.465947
O -0.652853 -0.149224 -0.672323
C 0.689700 -3.258333 0.477960
C 2.064255 -3.773308 0.958555
C -0.445824 -3.707765 1.421658
C 3.224924 -3.432347 0.011329
C -1.849672 -3.252461 1.005523
C 3.537698 0.519877 -1.246459
C -3.218354 0.584271 0.323600
C 2.167116 0.816054 -1.248869
C -4.605495 0.454119 0.145326
C 4.547964 1.480072 -1.068252
C -2.613606 1.676238 0.963685
C 2.775246 3.186648 -0.905233
C -4.869783 2.617382 1.303972
C 1.799794 2.170320 -1.076259
C -5.425370 1.489396 0.639972
C 4.149157 2.822066 -0.899824
C -3.460495 2.695739 1.453611
C 2.367800 4.639410 -0.738752
C -5.773393 3.711595 1.840344
H 0.494219 -3.635776 -0.547162
H 0.714057 -2.155417 0.410193
H 2.289829 -3.371045 1.965489
H 2.040418 -4.879734 1.055263
H -0.247591 -3.348203 2.450472
H -0.466668 -4.817937 1.473589
H 2.976491 -3.727186 -1.028805
H 4.162191 -3.928198 0.327080
H -2.075947 -3.502314 -0.051931
H -2.629263 -3.713792 1.640757
H 1.398796 0.046663 -1.368557
H -5.023258 -0.413242 -0.375467
H 5.601339 1.182433 -1.070581
H -1.525581 1.732286 1.067521
H 0.734243 2.424295 -1.076057
H -6.511430 1.419644 0.510311
H 4.914502 3.595025 -0.763443
H -3.018095 3.560367 1.960413
H 2.713873 5.248821 -1.594880
H 1.272231 4.748689 -0.671704
H 2.812087 5.079610 0.173017
H -6.444938 4.098674 1.052339
H -6.416460 3.329934 2.655549
H -5.193705 4.560278 2.239874


