! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S   -1.9813179348   1.3871141647   0.5276028250
F    1.4917836844  -2.6785977477   0.2987377116
F    1.0713378744  -3.4410917000  -1.6699226782
F    1.6682315808  -1.3871954737  -1.4110923913
O   -2.0696533758   2.3067976845  -0.5874318964
O   -2.9425236669   1.4312395853   1.6055711504
O   -4.5632026381   0.6178381087  -0.6189948361
O   -5.3188315995  -1.2771694739   0.3084358818
O   -0.6391517365   0.1567771929   2.8830986368
O    2.5506949765   2.6668338328  -1.8936661685
O    5.5272303129  -0.2035289311   0.2153045054
N   -0.6848140359  -0.7350126381  -0.2975386029
N   -0.4484708125   1.5968413375   1.1214643835
N    1.4156564263   0.5453996814   2.0404119814
N    1.9695635087   1.6474140212   0.0697453953
N    3.4757936475   0.1849892669   1.1446763140
C   -1.9068684807  -0.3097876253  -0.1053017593
C   -3.0385974643  -1.0906888694  -0.3146576699
C   -0.4964835180  -1.9750774560  -0.7134936639
C   -2.8261573221  -2.4027055902  -0.7105776395
C   -1.5361566805  -2.8603598223  -0.9242431952
C   -4.4362094783  -0.6039098104  -0.1557960424
C    0.9468829705  -2.3737123786  -0.8824836765
C    0.0560196951   0.7204294929   2.0675593139
C    2.3195425069   0.8065349871   1.0271345722
C    2.8568256131   1.8517689379  -0.8989904922
C    4.3534197208   0.4032553571   0.1749810875
C    4.1003347267   1.2447756137  -0.9014304480
C   -5.8271528370   1.2706514544  -0.4535554312
C    1.2594663483   3.2715620720  -1.9210682673
C    5.7959900156  -1.1193961964   1.2749813329
H   -3.6654803212  -3.0646689783  -0.8720337579
H   -1.3680097296  -3.8787564740  -1.2415483215
H    1.7600799221  -0.0770328421   2.7599648650
H    4.8212894875   1.4107076270  -1.6882248968
H   -6.0988021271   1.3386597537   0.5989037191
H   -5.7005716843   2.2682653141  -0.8615367591
H   -6.6094641141   0.7492583467  -1.0029703559
H    1.0772888450   3.8809192948  -1.0359890245
H    0.4707271696   2.5263778960  -2.0284541538
H    1.2548388769   3.9139153287  -2.7970405534
H    5.0889415277  -1.9483737745   1.2778165125
H    6.7942147085  -1.5026202107   1.0837209457
H    5.7804485198  -0.6288077813   2.2473974004
H    0.2497884735   1.9163892689   0.4281427617
*