%chk=000278111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278111

0 1
S 2.171502 -1.110464 -1.056111
O 0.731774 -1.184455 -0.194051
O 1.805225 -0.966581 -2.448399
O 2.973378 -2.232125 -0.631094
O -4.538355 3.004053 0.366904
C -1.530450 -1.806433 0.295337
C -0.438115 -1.783327 -0.804235
C -1.007054 -2.101134 1.714618
C -0.167762 -3.164457 -1.415675
C -0.059977 -3.302907 1.830413
C 0.460442 -4.206607 -0.487287
C -0.307566 -4.431586 0.821537
C -2.292772 -0.497293 0.308549
C -3.695702 -0.499827 0.201418
C -1.615930 0.721736 0.442871
C -4.412871 0.691158 0.224555
C -2.310873 1.934732 0.468277
C 2.798980 0.356316 -0.423177
C -3.705692 1.903285 0.358780
C 3.571181 0.343494 0.745311
C 2.542866 1.567334 -1.076840
C 4.079718 1.533870 1.261919
C 3.049730 2.761793 -0.565348
C 3.821205 2.753601 0.609755
C -3.929437 4.309566 0.499702
C 4.372966 4.022463 1.166262
H -2.237273 -2.633848 0.019525
H -0.736216 -1.079311 -1.623215
H -1.881429 -2.246229 2.378619
H -0.476007 -1.204822 2.096291
H 0.478130 -3.047422 -2.315043
H -1.126995 -3.556662 -1.812892
H -0.123194 -3.706842 2.858764
H 0.984063 -2.940926 1.710151
H 1.509918 -3.910877 -0.254582
H 0.542632 -5.165226 -1.036472
H 0.020698 -5.391924 1.266189
H -1.388510 -4.549689 0.624519
H -4.231682 -1.443628 0.100412
H -0.525162 0.718959 0.526247
H -5.496593 0.708843 0.142613
H -1.768617 2.866911 0.572359
H 3.783382 -0.605269 1.252158
H 1.948960 1.578647 -1.998677
H 4.679988 1.519210 2.169965
H 2.849297 3.699275 -1.080700
H -3.405270 4.389370 1.456159
H -4.806148 4.969875 0.475759
H -3.266767 4.508142 -0.347253
H 4.087093 4.160430 2.220006
H 5.473801 4.025132 1.131198
H 4.034489 4.915077 0.623011


%chk=000278111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278111

0 1
S 2.036184 -0.882040 -1.470019
O 0.769191 -1.364207 -0.172099
O 1.230036 -0.399500 -2.794515
O 3.164004 -2.041553 -1.567851
O -4.438099 3.137904 0.052922
C -1.564293 -1.875228 0.337260
C -0.448334 -1.997580 -0.753772
C -1.112585 -2.171700 1.801089
C -0.184600 -3.435046 -1.253773
C -0.118293 -3.341559 2.024817
C 0.445755 -4.428454 -0.253003
C -0.286168 -4.578329 1.104302
C -2.290365 -0.530407 0.264580
C -3.670659 -0.467246 -0.062679
C -1.616725 0.688166 0.528223
C -4.357097 0.760568 -0.124868
C -2.285176 1.931424 0.465331
C 2.750128 0.601400 -0.575224
C -3.664169 1.966626 0.139771
C 3.887376 0.406120 0.224807
C 2.133752 1.847993 -0.762082
C 4.428330 1.534491 0.876374
C 2.698694 2.960763 -0.099394
C 3.844325 2.821944 0.727691
C -3.766288 4.410632 0.315681
C 4.450475 4.023351 1.428912
H -2.293195 -2.660807 0.050218
H -0.757426 -1.384094 -1.625499
H -2.040541 -2.353926 2.379431
H -0.665016 -1.253442 2.223851
H 0.466434 -3.375369 -2.149298
H -1.159843 -3.828237 -1.609596
H -0.207490 -3.655618 3.084014
H 0.912891 -2.961533 1.893378
H 1.491701 -4.122728 -0.055984
H 0.498353 -5.415968 -0.753842
H 0.136211 -5.462582 1.621585
H -1.361839 -4.801637 0.942522
H -4.218464 -1.394774 -0.271136
H -0.550216 0.664719 0.779418
H -5.421299 0.810188 -0.374906
H -1.731282 2.851984 0.675054
H 4.337831 -0.587012 0.318137
H 1.259782 1.948650 -1.413876
H 5.316508 1.413868 1.507266
H 2.243862 3.948859 -0.230889
H -3.362648 4.450269 1.346742
H -4.545219 5.177802 0.193890
H -2.947923 4.593070 -0.408656
H 4.552946 3.843717 2.514786
H 5.462822 4.240452 1.039374
H 3.836658 4.929019 1.290638


