%chk=000298259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298259

0 1
S 1.234290 -1.505568 1.235135
O -3.208649 -0.479774 0.878295
O -3.216952 -2.295020 -2.037825
O -2.456434 0.452156 -3.029098
O -0.844162 1.145257 -0.917026
O -1.455632 0.941198 1.476467
O -0.193104 -1.455572 0.280903
O 1.849719 -2.773628 0.951872
O 0.787009 -1.215583 2.578976
C -2.450565 -1.312225 -1.342775
C -2.875601 0.127569 -1.711541
C -2.622650 -1.589413 0.170924
C -2.252270 1.154217 -0.729524
C -2.657419 0.827589 0.726674
C -1.348032 -2.087707 0.866044
C -1.607646 0.750082 2.904425
C 2.085310 -0.212266 0.528252
C 1.679261 1.113782 0.743943
C 3.212150 -0.473531 -0.266118
C 3.530240 1.906110 -0.612063
C 2.397903 2.165813 0.181087
C 3.932117 0.575344 -0.831762
C 4.285764 3.037208 -1.220988
H -1.406991 -1.532397 -1.683620
H -3.984171 0.222894 -1.762012
H -3.432947 -2.355322 0.317840
H -2.537739 2.195383 -1.010205
H -3.467720 1.460885 1.144638
H -1.224639 -3.179116 0.711896
H -1.394069 -1.848501 1.950780
H -4.136524 -1.995784 -2.193979
H -1.472797 0.594963 -3.045214
H -0.450726 0.339500 -0.455371
H -2.388132 0.017642 3.130530
H -1.818646 1.720910 3.357471
H -0.622646 0.355767 3.210420
H 0.781498 1.330091 1.343799
H 3.529662 -1.509353 -0.441837
H 2.069954 3.191954 0.344919
H 4.804890 0.363903 -1.447607
H 3.693561 3.523411 -2.013456
H 4.524750 3.815639 -0.480745
H 5.235586 2.726896 -1.677524


%chk=000298259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298259

0 1
S 1.297648 -1.546713 1.264891
O -3.135026 -0.541951 1.034732
O -3.845228 -2.288767 -1.860817
O -3.053330 0.367547 -3.025908
O -0.923559 0.858386 -1.186705
O -1.389133 1.083434 1.499490
O -0.233767 -1.462367 0.104327
O 2.088796 -2.930496 0.989412
O 0.736617 -1.249530 2.755844
C -2.822369 -1.385964 -1.321982
C -3.203036 0.086590 -1.592540
C -2.710817 -1.684946 0.196437
C -2.314264 1.035901 -0.760910
C -2.590738 0.797906 0.748719
C -1.355411 -2.279044 0.623504
C -1.602363 1.059527 2.961714
C 2.254766 -0.116911 0.528039
C 1.707749 1.176307 0.587324
C 3.502513 -0.426073 -0.037748
C 3.767459 1.978601 -0.520884
C 2.489112 2.221558 0.051251
C 4.258568 0.646702 -0.558167
C 4.579111 3.122996 -1.097219
H -1.851527 -1.579710 -1.824526
H -4.272966 0.236730 -1.370094
H -3.472146 -2.452972 0.425484
H -2.552333 2.082971 -1.010757
H -3.415483 1.454829 1.094736
H -1.260391 -3.302300 0.213575
H -1.312490 -2.305676 1.729795
H -3.989802 -2.037258 -2.810531
H -2.080228 0.527037 -3.171503
H -0.538776 0.047403 -0.726694
H -1.976778 0.073318 3.282662
H -2.316504 1.853888 3.258735
H -0.615268 1.240416 3.410368
H 0.705266 1.359124 0.991807
H 3.866271 -1.457874 -0.064381
H 2.086551 3.240493 0.066675
H 5.240230 0.442475 -0.999451
H 4.080885 3.549888 -1.988023
H 4.691201 3.943584 -0.365306
H 5.587789 2.796345 -1.400378


