! 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    1.3301975510   1.8817293160   1.5858742045
F    1.8295855140  -3.6768005030  -0.4098496010
F    0.2348372319  -3.0555958622  -1.7164884137
F    0.1132338889  -2.6632959100   0.3953624453
O    1.4470247563   0.9945833602   2.7298706233
O    1.1356211747   3.2970115601   1.8293516513
O    0.1752935606   2.7471893927  -0.9775613801
O   -5.2985480081  -1.2413863277  -1.4285439070
N    0.0238409599   1.2734380113   0.7421894651
N   -1.5695567638   1.3159256213  -0.9525976113
N   -2.1101894258  -0.2626762152   0.6689700678
N   -3.4431712755   0.0617515638  -1.2409947336
N   -4.0340754120  -1.5639681826   0.3656209265
C    3.1250195296   0.4102843544   0.0556992724
C    2.4380197802  -0.8979337652   0.3518159341
C    2.7018993353   1.6738160097   0.4826730747
C    1.6372591140  -1.3641644793  -0.8666913790
C    4.2526790017   0.3710964734  -0.7611561801
C    3.3638237223   2.8379672808   0.1052169692
C    0.9572833806  -2.6868353335  -0.6495829900
C    4.9240164011   1.5210845210  -1.1412262411
C    4.4780293820   2.7610556511  -0.7102060495
C   -0.4121731683   1.8459797745  -0.4200141951
C   -2.3945708388   0.3330446797  -0.4766251193
C   -2.9657039150  -1.2152277391   1.0530500331
C   -4.2239235267  -0.8883016830  -0.7673961942
C   -2.6828937089  -1.8979365598   2.3401814656
C   -5.6083767276  -0.5810088870  -2.6573300716
H    3.2085235732  -1.6336474637   0.5882933502
H    1.8008962510  -0.8403178450   1.2296672203
H    0.8753894723  -0.6301058600  -1.1325822308
H    2.2876405373  -1.4618869122  -1.7379350180
H    4.6135485031  -0.5910717171  -1.1037955308
H    3.0163538976   3.8037082400   0.4414014784
H    5.7965537112   1.4469670653  -1.7759607093
H    4.9912567636   3.6657725134  -1.0044023882
H   -0.5598497107   0.5346745987   1.1662977617
H   -1.8537478328   1.7353988046  -1.8292197857
H   -2.6545826121  -1.1683963319   3.1503378573
H   -3.4356514457  -2.6474925730   2.5646447032
H   -1.7038750630  -2.3756513433   2.3108945018
H   -4.8210826828  -0.7241031206  -3.3957841996
H   -5.7771029099   0.4839131038  -2.5045799162
H   -6.5243636172  -1.0430878219  -3.0127617389
*