! 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    1.0881935971   1.6819404536  -1.5809604991
F    0.2778988014  -3.0597283139   1.1436764473
F    1.9987181942  -4.3255655341   1.4075135651
F    1.4381780765  -3.6623444396  -0.5615589011
O    1.0448758682   3.0235310283  -2.1245956775
O    1.0992138227   0.5572248649  -2.4992488898
O   -0.0392163749   3.2437445024   0.6671711693
O   -3.1398226713  -1.9035198820  -1.2030370436
N   -0.2774684769   1.4184275140  -0.6613233620
N   -1.8953855504   1.9824937036   0.9109137684
N   -3.9215925251   1.0311974599   1.3312366596
N   -2.4547116873   0.0216546490  -0.2029313954
N   -4.5494209941  -0.9516082197   0.2301587887
C    2.7425771412   0.3754587476   0.2363841944
C    1.9085801464  -0.8733886860   0.0919053310
C    2.4348418839   1.5715178510  -0.4348887042
C    2.4132392644  -2.0653520616   0.8946418101
C    3.8552568880   0.4068245504   1.0703494072
C    3.1869843045   2.7271668274  -0.2713655685
C    1.5357424995  -3.2731100077   0.7202128709
C    4.6214501527   1.5529525669   1.2326738112
C    4.2894739051   2.7181225467   0.5658857671
C   -0.6838755184   2.2787535146   0.3200355482
C   -2.7839079100   0.9720247268   0.6628892157
C   -4.7772414533   0.0435436410   1.0759017569
C   -3.3729758729  -0.9131419822  -0.3753807837
C   -6.0661144168   0.0559988265   1.8121753437
C   -1.8902010318  -1.9577986718  -1.8913266547
H    0.8885911317  -0.6408581368   0.4077164388
H    1.8601522253  -1.1459289372  -0.9619540555
H    3.4228771218  -2.3420068454   0.5865180073
H    2.4468507081  -1.8369871174   1.9614325287
H    4.1460804240  -0.4797495113   1.6150662084
H    2.9244395659   3.6358503389  -0.7922989389
H    5.4800728275   1.5273024614   1.8898488742
H    4.8766123712   3.6166408795   0.6924588197
H   -0.8741075787   0.6094426566  -0.8766287923
H   -2.1899891974   2.6525442335   1.6102589244
H   -5.8955206056  -0.2624845176   2.8428806588
H   -6.4800929951   1.0618950491   1.8519809266
H   -6.7891717725  -0.6188456655   1.3629344818
H   -1.9371930425  -2.8447818368  -2.5154987921
H   -1.0584246540  -2.0614883667  -1.1945598200
H   -1.7417741560  -1.0844808596  -2.5258732315
*