%chk=000259720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259720

0 1
S -1.902371 -1.244807 -0.426443
O -0.380131 0.729168 -0.318092
O 3.032872 -1.526784 -0.148379
O 3.227123 1.362110 -0.436233
O 0.442220 -1.952263 0.453151
O 0.521105 3.884993 -0.103065
O 3.873814 -2.199678 -2.140338
O 3.558137 2.178276 1.647085
O 1.427229 -3.943892 -0.026440
O -1.744493 3.959273 -0.004881
C 2.090985 -0.660170 -0.829286
C 2.042078 0.630111 0.001798
C 0.741269 -1.410586 -0.861989
C 0.833140 1.513190 -0.382840
C -0.422562 -0.449014 -1.123356
C 0.555454 2.630507 0.629322
C -3.204717 -0.053888 -0.900892
C 3.839426 -2.343586 -0.944127
C 3.936871 2.089430 0.504086
C 0.843800 -3.237844 0.762809
C -4.411833 -0.510859 -0.152331
C 4.536189 -3.308845 -0.061350
C 5.128731 2.679917 -0.157130
C -0.710342 4.455503 -0.376520
C 0.412515 -3.525285 2.156316
C -4.718675 0.048167 1.099196
C -5.247022 -1.501733 -0.693890
C -0.483469 5.709295 -1.145750
C -5.850885 -0.378874 1.796915
C -6.377390 -1.924643 0.010119
C -6.682170 -1.364566 1.254727
H 2.462574 -0.454388 -1.866550
H 2.101143 0.415639 1.094380
H 0.783123 -2.253407 -1.596005
H 0.958211 1.923751 -1.410707
H -0.510095 -0.168801 -2.192273
H 1.377815 2.786815 1.356822
H -0.407015 2.458147 1.159268
H -3.356913 -0.053891 -1.995117
H -2.890957 0.975249 -0.617738
H 3.868965 -4.177132 0.125356
H 5.457068 -3.689253 -0.527509
H 4.786278 -2.883419 0.922176
H 5.226849 2.366938 -1.210440
H 6.052435 2.386111 0.367722
H 5.080642 3.781088 -0.138715
H -0.277545 -2.754268 2.545564
H -0.102093 -4.497268 2.215284
H 1.277837 -3.562984 2.836030
H -4.071231 0.813938 1.526767
H -5.013431 -1.944868 -1.660372
H -0.990798 5.665457 -2.122415
H -0.896571 6.576439 -0.605281
H 0.585185 5.906249 -1.328005
H -6.085739 0.058088 2.766176
H -7.021972 -2.693323 -0.412767
H -7.563566 -1.694730 1.800159


%chk=000259720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259720

0 1
S -1.844645 -2.000640 -0.653638
O -0.456648 0.292082 -0.152385
O 3.377507 -1.468278 -0.224390
O 3.130979 1.401451 -0.360028
O 0.819926 -2.123594 0.853786
O -0.619010 3.272641 -0.243353
O 3.673530 -2.407876 -2.341790
O 3.723707 1.746579 1.878161
O 1.953941 -4.122922 0.412106
O -1.974877 3.341768 1.662831
C 2.169211 -0.787825 -0.731746
C 2.006858 0.519950 0.047449
C 0.943175 -1.715411 -0.565476
C 0.680670 1.214413 -0.364098
C -0.332549 -0.947074 -0.942786
C 0.390877 2.455006 0.474911
C -3.127764 -0.967729 -1.641777
C 4.024798 -2.326553 -1.146396
C 3.950462 1.925927 0.663717
C 1.371204 -3.366718 1.218716
C -4.173000 -0.305599 -0.768752
C 5.119569 -3.099605 -0.460599
C 5.088778 2.723636 0.070631
C -1.785215 3.627605 0.460726
C 1.147252 -3.608258 2.691605
C -3.796650 0.599997 0.257641
C -5.549858 -0.561182 -0.990330
C -2.746262 4.357098 -0.448507
C -4.779017 1.249250 1.035042
C -6.536039 0.086161 -0.208962
C -6.153172 0.995322 0.803042
H 2.301734 -0.578870 -1.811647
H 2.044011 0.343327 1.137368
H 1.071285 -2.614634 -1.194897
H 0.746800 1.493963 -1.439193
H -0.283024 -0.690093 -2.023511
H 1.292587 3.080544 0.575086
H 0.004241 2.180303 1.472067
H -3.582653 -1.661349 -2.367076
H -2.529129 -0.222761 -2.194346
H 4.655187 -3.967966 0.042705
H 5.845274 -3.464331 -1.202307
H 5.618904 -2.487670 0.306944
H 5.096323 2.659523 -1.026416
H 6.043869 2.348079 0.475718
H 4.997218 3.779784 0.379960
H 0.095547 -3.409837 2.956160
H 1.416612 -4.643831 2.943777
H 1.771620 -2.913172 3.280985
H -2.732454 0.767388 0.456439
H -5.852912 -1.266290 -1.774846
H -3.495130 3.634684 -0.822760
H -3.282954 5.130431 0.123273
H -2.224761 4.803052 -1.308197
H -4.465886 1.946094 1.820753
H -7.597015 -0.121931 -0.388652
H -6.915935 1.494743 1.411264


