! 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   -1.8400893454   1.5258458527  -0.4134187097
F    1.1001291802  -2.7559989804  -1.5694502362
F    1.5690400696  -1.9831219325   0.3804063966
F    0.7582099021  -3.9677579224   0.1766739258
O   -1.7219935390   1.9031540389  -1.8064206115
O   -2.8746175846   2.0969359198   0.4192856175
O   -5.2145459133  -0.5415771562   0.8554211756
O   -4.7536303912   0.4340015224  -1.1086304520
O   -0.8866983411   1.0238996540   2.3025431833
O    5.8236280365   1.0180358673   1.3356038049
O    3.1750162188   1.9751249841  -2.3551291373
N   -0.7631063853  -0.8493232675  -0.3551580692
N   -0.3494182675   1.8331786843   0.2432998570
N    1.2952302385   1.2728112224   1.7927779559
N    3.5527281137   1.1341752305   1.5686385916
N    2.2177231994   1.6539013514  -0.3053080209
C   -1.9327276511  -0.2692028085  -0.2908918118
C   -3.1286233915  -0.9406149326  -0.0841981837
C   -0.6958538465  -2.1581135693  -0.1929696751
C   -3.0440778997  -2.3130066861   0.1033762541
C   -1.8092140783  -2.9403499760   0.0511235322
C   -4.4501312160  -0.2574370988  -0.1708015566
C    0.6946390586  -2.7251585872  -0.2977561192
C   -0.0397868735   1.3476820124   1.4976088785
C    2.3994733122   1.3583531646   0.9692375730
C    4.6312833867   1.2155800943   0.8010731011
C    3.3055870489   1.7093154389  -1.0672955955
C    4.5749872492   1.4991351773  -0.5583561919
C   -6.5375311998   0.0119744551   0.8679206412
C    5.9215279112   0.7441120696   2.7318125683
C    1.8667627632   2.1611897368  -2.8923098639
H   -3.9348856846  -2.8994505207   0.2790638927
H   -1.7402885395  -4.0075098392   0.2003264782
H    1.4921309358   0.9835557502   2.7424414476
H    5.4599231813   1.5538978848  -1.1746867562
H   -6.5066629071   1.0999550688   0.8398072384
H   -7.1246916782  -0.3621391419   0.0313925465
H   -6.9833974706  -0.3137953990   1.8013232442
H    6.9831205805   0.6339261616   2.9339284377
H    5.4087596343  -0.1790843907   2.9986004091
H    5.5266434484   1.5634288952   3.3312404953
H    1.2420126815   1.2793263576  -2.7461388995
H    1.3782872505   3.0390580632  -2.4678343918
H    2.0066744366   2.3180282115  -3.9581682634
H    0.4455743773   1.8965774278  -0.4130024200
*