%chk=000193322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193322

0 1
S -5.389993 -1.263615 1.184919
O -2.280020 1.036536 -2.255650
O 0.930006 -2.304884 0.061540
O -4.161095 1.462328 0.542424
O -5.356042 -0.766058 -0.436557
O 7.273130 -1.291070 -0.355805
O -6.059703 0.092659 1.818459
O -6.326042 -2.321040 1.305392
O -4.013162 -1.362542 1.577167
C 0.159888 1.651687 -0.482880
C -0.981034 0.628306 -0.183788
C 1.442346 1.252935 0.258283
C 1.912226 -0.123861 -0.286506
C -2.202453 1.355059 -0.857014
C -0.479687 3.019003 -0.189561
C 3.199703 -0.623892 0.447728
C -0.581721 -0.710496 -0.806042
C -1.951541 2.863463 -0.629917
C 2.554334 2.293075 0.059986
C 0.778644 -1.155294 -0.283075
C -1.274397 0.439208 1.305216
C 4.263384 0.477700 0.448580
C 3.820423 1.869906 0.807289
C 3.729522 -1.869323 -0.315088
C -3.563763 0.870453 -0.330803
C 2.898681 -0.984001 1.910733
C 5.143133 -2.269995 0.094297
C 5.562102 0.229901 0.217736
C 6.110887 -1.115912 -0.055544
C -4.093302 -0.400219 -0.972787
H 0.383692 1.620276 -1.580563
H 1.231567 1.157573 1.353095
H 2.189413 0.014576 -1.366438
H 0.023621 3.835113 -0.731884
H -0.413688 3.273258 0.883368
H -0.567782 -0.656742 -1.912832
H -1.329802 -1.499768 -0.571071
H -2.639992 3.259668 0.144242
H -2.172303 3.438655 -1.545011
H 2.220435 3.283936 0.423744
H 2.778522 2.426565 -1.016267
H -0.386074 0.113929 1.861364
H -1.636605 1.356142 1.784516
H -2.038827 -0.339617 1.486397
H 3.651658 1.911107 1.906317
H 4.627957 2.607084 0.613037
H 3.706636 -1.680835 -1.405716
H 3.039056 -2.725800 -0.142319
H 3.809902 -1.270638 2.448348
H 2.438488 -0.155229 2.456594
H 2.210976 -1.842124 1.967347
H -1.606098 1.534986 -2.765532
H 5.491207 -3.136307 -0.505567
H 5.167908 -2.622805 1.146608
H 6.316223 1.019380 0.222269
H -3.364383 -1.235162 -0.888797
H -4.303934 -0.227344 -2.057713
H -5.643532 0.958912 1.530233


%chk=000193322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193322

0 1
S -5.529193 -1.551234 0.767526
O -2.104272 1.107217 -2.266835
O 0.797389 -2.242825 0.734975
O -4.194173 1.331046 0.579436
O -5.526933 -0.637226 -0.900622
O 7.252865 -1.419621 -0.825143
O -6.049619 -0.183300 1.782124
O -6.702735 -2.624043 0.748285
O -3.992617 -1.956350 1.066658
C 0.127436 1.667983 -0.326889
C -1.036721 0.677381 -0.000213
C 1.456355 1.299843 0.362379
C 1.875137 -0.155910 -0.058646
C -2.211202 1.396185 -0.819510
C -0.487840 3.067057 -0.079636
C 3.251019 -0.637895 0.545566
C -0.648791 -0.736752 -0.495145
C -1.986147 2.910313 -0.507931
C 2.575995 2.294846 -0.015688
C 0.697601 -1.146883 0.124864
C -1.376983 0.616302 1.511326
C 4.308924 0.452223 0.280115
C 3.930343 1.885286 0.605781
C 3.669960 -1.964055 -0.168521
C -3.595674 0.883758 -0.442083
C 3.158090 -0.855193 2.091356
C 5.150494 -2.341179 0.041286
C 5.570788 0.161563 -0.171347
C 6.084888 -1.210068 -0.374980
C -4.192709 -0.223572 -1.312540
H 0.329219 1.575965 -1.422558
H 1.320086 1.335290 1.461995
H 2.020150 -0.100211 -1.164982
H 0.025387 3.856510 -0.654715
H -0.412690 3.341011 0.988295
H -0.560237 -0.729601 -1.600303
H -1.391042 -1.501445 -0.204513
H -2.672208 3.224661 0.296084
H -2.239574 3.506125 -1.403240
H 2.306713 3.312528 0.325489
H 2.672564 2.334216 -1.120783
H -0.499648 0.288318 2.095703
H -1.713539 1.586226 1.913478
H -2.175187 -0.122746 1.698979
H 3.854498 1.993810 1.708768
H 4.730835 2.571806 0.276541
H 3.493584 -1.847926 -1.258266
H 3.019083 -2.781967 0.180350
H 4.146893 -1.127699 2.500512
H 2.826235 0.056421 2.620265
H 2.448178 -1.666512 2.316312
H -1.331907 1.598412 -2.641033
H 5.417521 -3.251297 -0.524083
H 5.346946 -2.567105 1.109504
H 6.291500 0.968293 -0.360629
H -3.480953 -1.071356 -1.367161
H -4.323944 0.154071 -2.343951
H -5.471443 0.598107 1.434496


