%chk=000289347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289347

0 1
S -4.372111 2.182643 0.079637
O 0.206744 2.075440 0.906703
O -2.783702 2.413591 -0.444974
O -5.114816 3.335780 -0.347357
O -4.289272 1.822545 1.468771
O -4.762898 -3.839563 -1.628833
O -3.894827 -3.062577 0.196718
N -4.453760 -2.930992 -0.876818
C 5.488072 0.012529 0.314260
C 4.889873 -2.597188 -0.029835
C 5.556926 -1.462403 0.797162
C 4.065926 0.569622 0.391683
C 6.101255 0.154482 -1.088741
C 6.345760 0.865825 1.286608
C 4.831850 -3.847158 0.884531
C 3.460087 -2.249180 -0.468480
C 5.730466 -2.956276 -1.271668
C 3.483870 1.293398 -0.652754
C 3.322230 0.388636 1.579450
C 2.189602 1.823855 -0.546571
C 2.039826 0.900533 1.717140
C 1.482889 1.618958 0.638924
C -0.488722 2.810352 -0.141325
C -1.868103 3.053695 0.468826
C -4.774155 0.821070 -0.906105
C -4.452456 -0.468936 -0.482657
C -5.421400 1.027440 -2.131527
C -4.787101 -1.554081 -1.307664
C -5.750757 -0.061535 -2.946450
C -5.434555 -1.358108 -2.540792
H 6.626779 -1.725734 0.918717
H 5.134017 -1.498736 1.822314
H 7.130338 -0.222458 -1.103352
H 5.537706 -0.424524 -1.833482
H 6.136095 1.197719 -1.417287
H 7.399232 0.573545 1.254940
H 6.007874 0.770580 2.322592
H 6.291017 1.928235 1.025974
H 4.209267 -3.672011 1.766790
H 5.826537 -4.141946 1.229695
H 4.403750 -4.704216 0.355232
H 3.443616 -1.407990 -1.169156
H 2.976530 -3.096571 -0.964039
H 2.833600 -1.967810 0.385076
H 5.712801 -2.147761 -2.012938
H 6.775331 -3.146367 -1.012287
H 5.344827 -3.854278 -1.764467
H 4.029450 1.463433 -1.581330
H 3.762361 -0.171738 2.407026
H 1.769145 2.377190 -1.377678
H 1.460149 0.762160 2.626498
H -0.556359 2.184399 -1.052239
H 0.064337 3.741923 -0.345185
H -1.946234 2.585225 1.476847
H -2.128178 4.126304 0.517973
H -3.950285 -0.650578 0.482726
H -5.677924 2.047354 -2.452789
H -6.255700 0.103670 -3.900346
H -5.683220 -2.225519 -3.166491


%chk=000289347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289347

0 1
S -4.078110 2.112421 -0.505591
O -0.493944 2.607550 0.464773
O -2.871777 3.320454 -1.307501
O -5.398773 2.180518 -1.428283
O -4.111501 2.390600 1.091713
O -0.410842 -3.071166 0.667781
O -1.160842 -1.541839 2.183975
N -1.099041 -2.029115 0.992498
C 4.472315 -0.419278 0.671977
C 3.741530 -2.648084 -0.803146
C 4.165928 -1.959776 0.545499
C 3.181905 0.431862 0.583280
C 5.549292 0.044454 -0.341777
C 5.072792 -0.208521 2.102585
C 3.118908 -4.021852 -0.411433
C 2.678245 -1.846731 -1.598953
C 4.967479 -2.931751 -1.717534
C 3.044249 1.537494 -0.288868
C 2.076603 0.144132 1.434319
C 1.855989 2.305511 -0.354783
C 0.887640 0.890858 1.387822
C 0.763300 1.963417 0.472914
C -0.648541 3.798414 -0.377732
C -2.124315 4.176223 -0.362766
C -3.212789 0.470460 -0.834327
C -2.489769 -0.113118 0.211628
C -3.357982 -0.097444 -2.111895
C -1.869308 -1.346349 -0.080136
C -2.709536 -1.328925 -2.363059
C -1.954653 -1.956905 -1.350394
H 5.071542 -2.494193 0.903902
H 3.375236 -2.191046 1.287102
H 6.431793 -0.617396 -0.280295
H 5.188372 0.028678 -1.384935
H 5.887473 1.073060 -0.113879
H 6.031740 -0.751447 2.201969
H 4.389907 -0.578605 2.888631
H 5.258138 0.864596 2.292736
H 2.180118 -3.883935 0.157314
H 3.816853 -4.610473 0.214958
H 2.888813 -4.619696 -1.314136
H 3.068501 -0.878773 -1.958757
H 2.354631 -2.431808 -2.482110
H 1.787901 -1.638311 -0.978531
H 5.451796 -2.007913 -2.074736
H 5.728788 -3.530022 -1.180527
H 4.651579 -3.509670 -2.607266
H 3.870309 1.819212 -0.948975
H 2.132636 -0.683436 2.150051
H 1.805568 3.149289 -1.049898
H 0.054324 0.657292 2.057458
H -0.330896 3.590833 -1.418687
H -0.035068 4.630004 0.029389
H -2.542401 4.082505 0.660125
H -2.271321 5.212498 -0.719066
H -2.407241 0.353443 1.197341
H -3.963423 0.399932 -2.876002
H -2.796610 -1.796040 -3.348277
H -1.439911 -2.906195 -1.520289


