! 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    0.7988602748   0.2108178854   1.2068855387
F    5.2362094918  -3.4247815417   1.1154015609
F    4.9761839781  -3.3083858879  -1.0179652432
F    3.2986946574  -3.7685987709   0.2442052123
O    1.1002835579  -1.2035992029   1.2843545329
O    0.6547503717   0.9563340415   2.4452118646
O   -0.1262627141  -0.6056076033  -1.4807888405
O   -6.7610693725   0.7262545228  -1.0671614447
N   -0.6789203839   0.4306483018   0.4600427020
N   -2.2695661050   0.0323078851  -1.1883222667
N   -3.2432195010   1.0054072824   0.6872003494
N   -4.5168228706   0.3694333016  -1.1849410712
N   -5.5649093596   1.3213468415   0.7037737813
C    2.8945306422   0.4424620586  -0.6564098872
C    3.1293237975  -1.0384875295  -0.7931662162
C    1.9433978073   1.0685158296   0.1566801851
C    4.0957773898  -1.5379137090   0.2824871032
C    3.7358512405   1.2834732402  -1.3864979914
C    1.8318447510   2.4576171250   0.2204649501
C    4.3982742438  -3.0036162376   0.1558241249
C    3.6371797833   2.6618331085  -1.3301729454
C    2.6755320662   3.2560052108  -0.5260782219
C   -0.9600404651  -0.0860170891  -0.7695723282
C   -3.3738612196   0.4909810945  -0.5239109129
C   -4.3769022844   1.4078812484   1.2677444236
C   -5.5707496123   0.7994610218  -0.5217173648
C   -4.2651619574   2.0062779835   2.6211726469
C   -6.8927265417   0.1847228586  -2.3824660659
H    2.1974110575  -1.5935063325  -0.7681151931
H    3.5669328346  -1.2039178018  -1.7781703711
H    5.0409630917  -0.9945856205   0.2218893750
H    3.6906168618  -1.3623991985   1.2792901374
H    4.4865999107   0.8318922487  -2.0226621018
H    1.0849351708   2.9266718033   0.8464056970
H    4.3097672104   3.2719605769  -1.9176208767
H    2.5827157458   4.3316168432  -0.4752152111
H   -1.4523878887   0.8439065059   1.0026153822
H   -2.4442055208  -0.3458666788  -2.1107666010
H   -3.8156313619   2.9979404834   2.5421901403
H   -5.2379514689   2.1069047300   3.0929426914
H   -3.6131661548   1.4080862845   3.2556753512
H   -7.9546303434   0.2189159876  -2.6063306307
H   -6.5480157056  -0.8472364016  -2.4254971804
H   -6.3505343810   0.7814622265  -3.1143630937
*