%chk=000260734.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260734

0 1
S 3.483567 -0.810783 1.198933
S -3.314264 1.301251 0.791934
O 2.305271 -0.066706 0.240529
O -2.114258 0.313214 0.125321
O 3.433004 -0.187850 2.498356
O 3.257836 -2.231520 1.068710
O -3.079867 2.621959 0.256041
O -3.299892 1.087715 2.217857
C 0.109200 -0.032482 -0.855917
C 0.079930 0.300866 1.364981
C 0.962888 -0.531548 0.364901
C -0.773857 0.799517 0.142224
C 0.868470 0.845427 -1.837270
C -0.627819 -1.162598 -1.555871
C 0.804624 1.436598 2.062919
C -0.666845 -0.582657 2.346808
C 4.878857 -0.312111 0.336655
C -4.688481 0.565631 0.078185
C 5.531182 0.877160 0.685202
C -5.352897 -0.472843 0.742640
C 5.368612 -1.093225 -0.717550
C -5.148890 1.002046 -1.170379
C 6.664606 1.286618 -0.015753
C -6.469208 -1.074713 0.163632
C 6.501804 -0.689268 -1.421889
C -6.264874 0.404459 -1.754217
C 7.158489 0.505524 -1.075884
C -6.933610 -0.640049 -1.090684
C 8.361560 0.948489 -1.837709
C -8.118101 -1.292082 -1.719815
H 0.954731 -1.624103 0.520895
H -0.765637 1.889762 -0.029160
H 0.188467 1.390746 -2.499294
H 1.499926 1.576453 -1.312704
H 1.543557 0.245602 -2.459015
H -1.284452 -0.774123 -2.343288
H 0.066982 -1.875311 -2.011222
H -1.275250 -1.710199 -0.856411
H 0.107106 2.084233 2.605856
H 1.532952 1.049781 2.796741
H 1.373172 2.055456 1.359382
H -1.219820 -1.382758 1.841564
H 0.014106 -1.040030 3.073381
H -1.411933 -0.000193 2.916066
H 5.155171 1.485848 1.516307
H -5.000014 -0.810145 1.724631
H 4.865357 -2.029362 -0.986507
H -4.636211 1.820994 -1.688508
H 7.166861 2.212370 0.259600
H -6.980989 -1.881870 0.684857
H 6.877968 -1.300630 -2.240139
H -6.618255 0.748085 -2.724701
H 8.938618 0.105483 -2.243385
H 9.053900 1.543373 -1.225190
H 8.069209 1.578203 -2.693379
H -7.805847 -2.143376 -2.345896
H -8.827779 -1.684722 -0.977794
H -8.681936 -0.607407 -2.369074


%chk=000260734-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260734

0 1
S 3.644957 -0.726179 1.327118
S -3.517586 1.317812 0.875734
O 2.384805 0.178812 0.237059
O -2.194763 0.202531 0.104141
O 3.723400 -0.029807 2.788678
O 3.331224 -2.314956 1.194988
O -3.292401 2.810634 0.277361
O -3.580592 1.089482 2.479964
C 0.126454 0.079718 -0.874654
C 0.058591 0.342628 1.392082
C 1.030854 -0.352799 0.357868
C -0.850300 0.769736 0.171714
C 0.768503 1.092481 -1.839147
C -0.458868 -1.123959 -1.632985
C 0.654157 1.548974 2.136320
C -0.587585 -0.659322 2.363201
C 5.163834 -0.273941 0.334760
C -4.987836 0.497304 0.063697
C 5.882233 0.871230 0.711747
C -5.624850 -0.545528 0.754007
C 5.533649 -1.111373 -0.729315
C -5.405943 0.973607 -1.188734
C 7.038845 1.189484 -0.032753
C -6.746849 -1.143510 0.140412
C 6.695422 -0.769912 -1.454394
C -6.532192 0.358784 -1.776918
C 7.456907 0.383700 -1.125195
C -7.210891 -0.708601 -1.129746
C 8.684058 0.756446 -1.935588
C -8.399180 -1.382073 -1.790223
H 1.079782 -1.453897 0.476751
H -0.908532 1.867588 0.029701
H -0.002732 1.498461 -2.520356
H 1.238846 1.932697 -1.300335
H 1.552931 0.607491 -2.447467
H -1.194106 -0.790509 -2.387389
H 0.353252 -1.667214 -2.151712
H -0.974869 -1.826443 -0.956431
H -0.147094 2.082007 2.681230
H 1.421026 1.224955 2.863184
H 1.139298 2.261072 1.444291
H -1.029314 -1.520578 1.829654
H 0.173873 -1.039759 3.069080
H -1.397005 -0.178032 2.941212
H 5.559528 1.476103 1.564842
H -5.268729 -0.861389 1.739493
H 4.948772 -2.005901 -0.965024
H -4.884991 1.805916 -1.672195
H 7.623257 2.075152 0.240882
H -7.268141 -1.957360 0.656805
H 7.014165 -1.408855 -2.285678
H -6.887548 0.713597 -2.750892
H 9.171489 -0.134075 -2.368321
H 9.428741 1.292566 -1.322489
H 8.410005 1.422679 -2.776421
H -8.067734 -2.231210 -2.418793
H -9.105544 -1.783459 -1.043405
H -8.949684 -0.684809 -2.444910


