%chk=000271378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271378

0 1
S 1.763526 1.213180 1.720792
O -2.818867 0.513595 0.750963
O -2.619966 1.028085 -1.467657
O 0.394080 1.584214 -0.384067
O -1.200101 2.789563 2.608699
C -2.777094 -0.099599 -0.562705
C -2.206067 1.820604 0.723906
C -1.996029 2.131158 -0.778070
C -4.144203 -0.712738 -0.853620
C -1.575821 -1.033652 -0.702656
C -0.966067 1.750894 1.639901
C -4.318541 -2.054502 -0.134947
C -1.815021 -2.358859 0.025112
C -3.141088 -2.999957 -0.407148
C -0.544356 2.243264 -1.258280
C 0.366398 2.082915 0.953331
C 1.543405 -0.511107 1.175216
C 2.733597 -0.869026 0.349320
C 3.713571 -1.737638 0.852336
C 2.870175 -0.339187 -0.945264
C 4.817273 -2.076640 0.063229
C 3.974114 -0.681813 -1.726722
C 4.949044 -1.552599 -1.225480
H -2.963739 2.496165 1.192188
H -2.589377 3.013815 -1.107966
H -4.251574 -0.832767 -1.950552
H -4.937563 -0.003147 -0.543704
H -0.655708 -0.530833 -0.316559
H -1.386944 -1.207047 -1.780949
H -0.959165 0.757206 2.148640
H -5.267848 -2.525548 -0.451343
H -4.409912 -1.875173 0.956067
H -1.826611 -2.182730 1.119676
H -0.975422 -3.051573 -0.171535
H -3.292024 -3.953952 0.131658
H -3.103419 -3.258172 -1.482728
H -0.401869 1.685543 -2.207615
H -0.232964 3.294250 -1.387197
H 0.575345 3.177859 0.979601
H -0.705593 2.602709 3.435159
H 0.597523 -0.612364 0.580814
H 1.428376 -1.149834 2.071110
H 3.622190 -2.146765 1.856008
H 2.115440 0.353491 -1.326729
H 5.576426 -2.750174 0.457063
H 4.079070 -0.268133 -2.728243
H 5.808500 -1.817678 -1.837253


%chk=000271378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271378

0 1
S 2.099073 1.323648 1.732141
O -3.016779 0.242981 0.748378
O -1.956813 0.038459 -1.366682
O 0.687822 1.496994 -0.605280
O -0.919735 1.259342 2.775974
C -3.010192 -0.566198 -0.521239
C -2.001247 1.307980 0.623878
C -1.809835 1.436768 -0.909646
C -4.399665 -0.444816 -1.171822
C -2.628177 -2.020319 -0.219540
C -0.700139 0.942000 1.368347
C -5.480171 -1.127158 -0.297518
C -3.711699 -2.705212 0.648597
C -5.110099 -2.602022 -0.007856
C -0.464080 1.996862 -1.376902
C 0.501236 1.751298 0.823899
C 2.461663 -0.401607 0.945378
C 3.791662 -0.418549 0.229424
C 4.877383 -1.173764 0.739400
C 3.964336 0.310912 -0.976737
C 6.114449 -1.207467 0.054336
C 5.196949 0.275626 -1.661317
C 6.276928 -0.484162 -1.148590
H -2.425207 2.217834 1.084220
H -2.624043 2.059188 -1.338612
H -4.351430 -0.932018 -2.165497
H -4.640094 0.623006 -1.330348
H -1.645491 -2.035994 0.285391
H -2.516840 -2.551490 -1.185116
H -0.490531 -0.136989 1.217079
H -6.462171 -1.065342 -0.803900
H -5.565080 -0.574749 0.657982
H -3.735065 -2.212067 1.639477
H -3.438985 -3.764759 0.813690
H -5.871543 -3.061266 0.651153
H -5.115716 -3.177184 -0.957430
H -0.270482 1.691087 -2.417225
H -0.493170 3.106158 -1.317636
H 0.359194 2.834647 1.029005
H -0.059518 1.090465 3.250454
H 1.626608 -0.567124 0.245266
H 2.419255 -1.134762 1.765491
H 4.754748 -1.738547 1.672152
H 3.126706 0.908587 -1.354828
H 6.946284 -1.795813 0.457977
H 5.320124 0.839803 -2.592902
H 7.234676 -0.508964 -1.680664


