%chk=000268068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268068

0 1
S -1.175114 2.543080 0.644179
S -2.816392 2.542310 1.862137
O -0.702867 0.111924 0.997753
O 3.121615 0.477243 -0.396165
O 2.185020 -2.100985 0.676491
O 0.898451 1.954640 -0.634441
O -0.491853 -2.740212 -0.579322
O 4.727512 0.932718 1.134145
O 2.472658 -2.777583 -1.476552
O 2.723728 3.284750 -0.891122
O -2.292211 -1.894335 -1.663954
C 2.151636 0.279612 0.661113
C 1.353175 -0.975340 0.270408
C 1.291915 1.560232 0.710952
C 0.078101 -1.101564 1.133817
C -0.058290 1.320776 1.397886
C -0.912986 -2.188613 0.689347
C 4.400606 0.899024 -0.025440
C 2.685542 -2.946229 -0.300985
C 1.712424 2.814243 -1.354442
C 5.144926 1.252220 -1.257239
C 3.479848 -4.007334 0.373840
C -1.226352 -2.455925 -1.721925
C 1.091472 3.015372 -2.689541
C -3.968187 1.377922 1.222855
C -0.471861 -2.981949 -2.886891
C -3.636027 0.396816 0.292398
C -5.267829 1.493210 1.731587
C -4.626742 -0.492741 -0.141730
C -6.246272 0.596232 1.294979
C -5.927638 -0.395376 0.358107
H 2.689716 0.122303 1.632069
H 1.146949 -1.016080 -0.825163
H 1.871154 2.398456 1.172310
H 0.348031 -1.236966 2.206359
H 0.005361 1.362902 2.504514
H -1.944344 -1.773899 0.612832
H -0.895252 -3.061711 1.365842
H 4.891295 2.291778 -1.552828
H 6.232478 1.205424 -1.098234
H 4.884045 0.606369 -2.110210
H 3.601653 -3.822720 1.454229
H 4.485679 -4.085022 -0.069260
H 2.994567 -4.989999 0.257905
H 0.076957 2.581061 -2.750045
H 1.013095 4.087717 -2.929569
H 1.696671 2.541039 -3.478352
H 0.622277 -3.014042 -2.690614
H -0.779333 -4.009270 -3.134321
H -0.636408 -2.359469 -3.779223
H -2.619869 0.300515 -0.110634
H -5.524736 2.266755 2.454561
H -4.365826 -1.258982 -0.877446
H -7.260630 0.672096 1.682509
H -6.695338 -1.087693 0.018225


%chk=000268068-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268068

0 1
S -1.371588 2.445523 0.466593
S -2.819398 2.251933 2.230009
O -0.663306 -0.195109 0.469726
O 3.471105 0.480595 -0.090385
O 2.508640 -2.176521 0.599980
O 1.043539 1.597735 -1.111792
O -0.517669 -2.677138 -1.083060
O 4.240485 1.659987 1.773709
O 3.231244 -2.572705 -1.596872
O 2.710160 3.241329 -1.151231
O -2.850472 -2.530112 -1.027996
C 2.199544 0.247423 0.621107
C 1.617564 -1.085638 0.140550
C 1.227238 1.420682 0.351338
C 0.243419 -1.309932 0.817188
C -0.154498 1.100313 0.945542
C -0.450174 -2.603004 0.394918
C 4.417898 1.279232 0.597909
C 3.297002 -2.828375 -0.380249
C 1.863893 2.548163 -1.753442
C 5.585395 1.593869 -0.298802
C 4.194303 -3.842998 0.291218
C -1.786121 -2.574566 -1.680605
C 1.553999 2.571138 -3.230306
C -4.219015 1.287886 1.516589
C -1.646704 -2.513498 -3.183172
C -4.017160 0.071935 0.823661
C -5.525264 1.784028 1.752196
C -5.136632 -0.657885 0.366609
C -6.639982 1.030160 1.316599
C -6.447570 -0.186648 0.621706
H 2.401047 0.211635 1.710484
H 1.524687 -1.113096 -0.958405
H 1.638452 2.351654 0.781635
H 0.390976 -1.346522 1.921662
H -0.090067 1.095155 2.052744
H -1.471168 -2.645000 0.812325
H 0.141800 -3.472980 0.720628
H 5.313216 2.474247 -0.910378
H 6.469886 1.842727 0.306133
H 5.799552 0.757366 -0.982182
H 4.923560 -3.325242 0.938895
H 4.729901 -4.426704 -0.470891
H 3.603414 -4.515335 0.935975
H 0.464815 2.617497 -3.394124
H 2.048340 3.433029 -3.700665
H 1.920616 1.639424 -3.697441
H -1.457815 -1.465789 -3.481083
H -0.793768 -3.119934 -3.524824
H -2.580237 -2.848948 -3.658746
H -3.003459 -0.288065 0.622793
H -5.666363 2.743435 2.261543
H -4.965235 -1.587792 -0.184124
H -7.652023 1.405551 1.504976
H -7.313802 -0.759412 0.271532


