! 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    1.1194340842   0.4911858267   1.4900245489
F    3.8774770892  -2.0701846551   0.3243137199
F    3.9190137593  -3.9426034363  -0.7338253824
F    2.1916881770  -3.4030468209   0.4250075238
O    1.1445982941  -0.9295450583   1.7869143800
O    1.2076518549   1.4279537175   2.5941922705
O   -0.0096783048   2.9013225754   0.2152941421
O   -6.4211019817   0.9664899544  -0.8367982612
N   -0.3358873501   0.7066103026   0.6976114669
N   -2.0499219358   2.0192143619  -0.1697506446
N   -2.8220992468  -0.1115516749   0.3543493466
N   -4.2406381104   1.5412726572  -0.5335592266
N   -5.0882460035  -0.5939799053   0.0058427430
C    2.5245623580   0.1843745428  -0.8921232003
C    1.7074527115  -1.0068359650  -1.3321774639
C    2.3457110205   0.9170534993   0.2854553950
C    2.5342871564  -2.2606243552  -1.6196744096
C    3.5245608605   0.6309159533  -1.7545856406
C    3.1319396607   2.0242522242   0.5921708895
C    3.1254312983  -2.9110251009  -0.4014923130
C    4.3184408807   1.7248245036  -1.4595691131
C    4.1277679231   2.4240212589  -0.2775181926
C   -0.7402940610   1.9354733390   0.2580230497
C   -3.0636036911   1.1037235266  -0.1078048489
C   -3.8757729192  -0.9313119827   0.3966218855
C   -5.2080555492   0.6515614377  -0.4507867142
C   -3.6480545393  -2.2924708929   0.9414887239
C   -6.6713270854   2.2738225830  -1.3556659526
H    0.9055619394  -1.2521989624  -0.6436893376
H    1.2166784880  -0.7358524971  -2.2684735673
H    1.8974875257  -2.9964765953  -2.1130468450
H    3.3462925669  -2.0411885219  -2.3142612840
H    3.6826142356   0.1093018106  -2.6900020559
H    2.9729312505   2.5806481490   1.5033937908
H    5.0839927151   2.0340473386  -2.1579357399
H    4.7398639224   3.2815077552  -0.0364061761
H   -1.0479432951  -0.0377375130   0.7575153230
H   -2.3093780282   2.9299122855  -0.5268962218
H   -4.5028426653  -2.9391816220   0.7673184910
H   -2.7582338656  -2.7397097321   0.5011906666
H   -3.4762620223  -2.2275178601   2.0173911190
H   -6.0911628355   2.4615009224  -2.2575940163
H   -6.4573206671   3.0440167847  -0.6167101470
H   -7.7293177155   2.2923769525  -1.5985945529
*