! 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    1.1801103226   1.8183004398  -1.3321369529
F    1.1396184976  -0.7811897116   1.8884787462
F    0.7764438025  -2.8777335879   2.2160663143
F   -0.3187423278  -1.8202496896   0.6972241072
O    1.1175514029   3.2654864473  -1.3726664041
O    1.1266360561   1.0869593004  -2.5867900580
O    0.2592011595   2.4316608572   1.4068030061
O   -3.2112764302  -1.4704905878  -2.0846480361
N   -0.1274654556   1.2316442437  -0.4797440177
N   -1.6168959704   1.1812443979   1.3068369585
N   -3.5162358957  -0.0437366240   1.5915269077
N   -2.3916495746  -0.0965596455  -0.4703713588
N   -4.3274473853  -1.3904393833  -0.1600952353
C    2.9728588336  -0.0075743897  -0.2371817722
C    2.2272171724  -1.2075941492  -0.7750117574
C    2.5968732143   1.3323573077  -0.3868513697
C    1.9548939696  -2.3001392757   0.2595000047
C    4.1643920506  -0.2423684405   0.4470313933
C    3.3497876890   2.3748835246   0.1468057311
C    0.8959498626  -1.9440990734   1.2625227276
C    4.9283552571   0.7844679217   0.9728348033
C    4.5172178001   2.1009409260   0.8324996308
C   -0.4388851546   1.6681641417   0.7775901347
C   -2.5337167316   0.3123606420   0.7830460736
C   -4.3977580322  -0.8924053195   1.0668634770
C   -3.2993900346  -0.9649876730  -0.8775838085
C   -5.5170277790  -1.3315813354   1.9372478411
C   -2.0918035243  -1.1186845884  -2.8991607178
H    1.3006437283  -0.9444403793  -1.2755343070
H    2.8480599106  -1.6572250722  -1.5522465921
H    1.6269610181  -3.2016424649  -0.2599733083
H    2.8612193530  -2.5712030543   0.8003463698
H    4.5126178893  -1.2601952061   0.5658315177
H    3.0341706074   3.4005949052   0.0287959299
H    5.8477661148   0.5532606172   1.4932373557
H    5.1008691538   2.9109656937   1.2463285778
H   -0.8033195073   0.6265656952  -0.9639595770
H   -1.7989294120   1.4803235118   2.2565042796
H   -5.1488260838  -2.0739884000   2.6485575282
H   -5.9094960328  -0.4983669794   2.5168171654
H   -6.3178749646  -1.7841354033   1.3595973358
H   -1.1564181104  -1.4440582298  -2.4425809765
H   -2.0609731765  -0.0486905729  -3.1008875302
H   -2.2292564066  -1.6524227749  -3.8342449839
*