%chk=000197457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197457

0 1
S 1.309343 1.197333 -0.209757
O -1.274197 1.643565 -0.208828
O -0.893383 -1.976327 -0.217351
O -3.489947 1.681639 -0.682044
O 2.728498 -0.968007 -0.730737
O 0.499972 -2.238747 1.557770
C -1.143408 0.318740 -0.833833
C 0.250362 0.360788 -1.426495
C -1.333649 -0.693594 0.306721
C -2.525604 2.232340 -0.204661
C 2.680360 0.039130 -0.077891
C 0.077862 -2.655463 0.506474
C -2.433266 3.510483 0.428574
C 3.616818 0.533166 0.873755
C 0.412400 -3.851889 -0.199890
C -2.369068 4.589612 0.960618
C 4.400863 0.951073 1.688878
C 0.719109 -4.859823 -0.784354
H -1.930017 0.198000 -1.617022
H 0.278973 0.926376 -2.378027
H 0.625745 -0.666762 -1.650909
H -0.766461 -0.415359 1.219716
H -2.400301 -0.841327 0.556376
H -2.319228 5.520185 1.418328
H 5.076641 1.309390 2.389670
H 0.986683 -5.729421 -1.283881


%chk=000197457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197457

0 1
S 1.692389 1.350533 -0.104322
O -1.414705 1.906374 -0.227909
O -0.737706 -1.763893 -0.185852
O -3.657859 1.352798 -0.640198
O 2.575288 -1.171348 -0.811588
O 0.578315 -2.266470 1.693757
C -0.990026 0.570484 -0.760902
C 0.403915 0.755051 -1.354677
C -1.085834 -0.440793 0.393608
C -2.793959 2.165918 -0.233932
C 2.796575 -0.151929 -0.111075
C 0.121868 -2.579634 0.570933
C -3.062365 3.488447 0.282258
C 3.921472 0.014300 0.772228
C 0.378727 -3.817094 -0.127861
C -3.371939 4.601348 0.711329
C 4.889483 0.140445 1.527278
C 0.637646 -4.899365 -0.656402
H -1.694368 0.275210 -1.562630
H 0.380237 1.505059 -2.159644
H 0.778145 -0.209931 -1.743339
H -0.398781 -0.189810 1.219539
H -2.123882 -0.504351 0.759599
H -3.632910 5.574756 1.089021
H 5.731072 0.248856 2.189132
H 0.864304 -5.839860 -1.127151


