! 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    1.0832171012   1.5448544460   1.6378944584
F    0.3890962886  -3.0749704712  -1.2018658680
F    1.7203711193  -3.7777832503   0.3317341572
F    2.1210535161  -4.2353753489  -1.7323373901
O    1.0931636023   0.3569550992   2.4719381446
O    1.0204964618   2.8410406932   2.2801292652
O   -0.0656931423   3.2774717314  -0.4784840163
O   -3.1883201543  -1.9521805229   1.1015080674
N   -0.2691465650   1.3342553755   0.6787447430
N   -1.9570802736   2.0736125978  -0.7399649612
N   -4.0415683681   1.2255202097  -1.0951513403
N   -2.5072106643   0.0363506519   0.2307823985
N   -4.6648000564  -0.8241293875  -0.1211884691
C    2.7869279518   0.3786793949  -0.2256988592
C    2.0204361032  -0.9158196635  -0.1107863892
C    2.4381251963   1.5322746853   0.4969682699
C    2.5031538855  -2.0162523760  -1.0464965159
C    3.8873261360   0.4922105796  -1.0690530318
C    3.1438038062   2.7226893197   0.3814232287
C    1.6870696855  -3.2708462619  -0.9108042745
C    4.6046997524   1.6744484063  -1.1883290767
C    4.2370534439   2.7942827597  -0.4645418776
C   -0.7099479094   2.2932868576  -0.1895283254
C   -2.8613102849   1.0710293621  -0.5199291551
C   -4.9151986148   0.2506304524  -0.8573913720
C   -3.4456476524  -0.8818431705   0.3883772241
C   -6.2565854263   0.3644943535  -1.4829690033
C   -1.8863267596  -2.1195897542   1.6624643403
H    2.0806738547  -1.2668531339   0.9191493814
H    0.9662280155  -0.7157561136  -0.3156243314
H    2.4490623246  -1.6984866206  -2.0893875134
H    3.5418668362  -2.2781996293  -0.8371213722
H    4.2075574814  -0.3570029286  -1.6549224544
H    2.8498476114   3.5957413279   0.9448402678
H    5.4549125922   1.7125898305  -1.8557231650
H    4.7886336408   3.7192832873  -0.5552226729
H   -0.8860932625   0.5329220061   0.8663021045
H   -2.2764992324   2.8129372714  -1.3533138587
H   -6.2217643003  -0.0702237520  -2.4845855250
H   -7.0059804448  -0.1784971971  -0.9128539891
H   -6.5566200108   1.4043301826  -1.5880676730
H   -1.9179976253  -3.0599192420   2.2039451090
H   -1.6403463280  -1.3180105037   2.3583381866
H   -1.1267877637  -2.1867283221   0.8839463524
*