! 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   -1.1662577302  -1.3487292125  -1.0041386735
F   -3.5653322839  -2.6660448130   0.0015592445
F   -2.6031963853  -2.8784114630   1.9175279979
F   -4.6180675470  -2.1530065875   1.7975388567
O   -2.0487916002  -1.4795748479  -2.1403406363
O   -0.6708994588  -2.5215632442  -0.3116133426
O   -0.7289674530   0.9839167298  -2.9129251931
O    3.5363921729  -0.7494079717   1.3557328519
O    4.9707674297   3.3988409286  -0.1532290875
N    0.1884795408  -0.5129425418  -1.4377942204
N   -1.4829411345   0.9662072570   0.1746140042
N    1.2583095252   1.4762339186  -1.9773961577
N    2.3931037335   0.3298503631  -0.3041612228
N    3.1094263290   2.4412926226  -1.0732179329
C   -1.9409171712  -0.2621995659   0.2216438394
C   -2.9164810969  -0.6945269035   1.1169310314
C   -3.4084047203   0.2536434199   2.0052603980
C   -3.4250852902  -2.1058195641   1.2044920982
C   -2.9316912783   1.5510211175   1.9580304102
C    0.1578684228   0.6715860225  -2.1521642153
C   -1.9668327468   1.8662463197   1.0205105172
C    2.2963761649   1.4022208601  -1.0711195125
C    3.4036326855   0.2970718599   0.5595696399
C    4.1162842894   2.3921114471  -0.2113516653
C    4.3252842325   1.3242742653   0.6538485700
C    2.5773242044  -1.8024904685   1.2794622005
C    4.7741357861   4.5281444383  -1.0015212907
H    0.9926629888  -0.6021528724  -0.7903856679
H   -4.1602838691  -0.0083453392   2.7361308471
H   -3.3030899419   2.3022606592   2.6389605288
H   -1.5648553137   2.8674631266   0.9438139986
H    1.2448530441   2.3174778679  -2.5390954138
H    5.1480162119   1.2992035299   1.3529363816
H    2.8874101599  -2.5362360677   2.0181101019
H    1.5760802228  -1.4526445266   1.5327955649
H    2.5718952388  -2.2727387661   0.2959748039
H    3.8172842510   5.0128795846  -0.8114767532
H    4.8396984693   4.2579756102  -2.0548413197
H    5.5777971956   5.2176532863  -0.7591960791
*