! 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    1.1741899898   1.6832205534   1.6074155489
F    2.5511595826  -4.3400804352  -1.2016110059
F    0.7342428431  -3.2214052383  -0.9206946195
F    1.9785498288  -3.6897081022   0.7681205684
O    1.2851999287   0.6152072712   2.5849784078
O    1.0253726259   3.0449106984   2.0823892702
O   -0.0197699170   2.9836286617  -0.7576540198
O   -5.8922297991  -0.3689560600  -1.2816662514
N   -0.1711956039   1.2649602975   0.7170622766
N   -1.8478692979   1.6630777116  -0.8444365866
N   -2.4142398628  -0.1083911493   0.5529747285
N   -3.8788038298   0.6781607775  -1.1107575327
N   -4.5175803674  -1.1077108031   0.2946268018
C    2.9235317969   0.4300403784  -0.1594231875
C    2.1996247356  -0.8774068144   0.0478012645
C    2.5218523853   1.6254102839   0.4611488906
C    2.7819331669  -2.0449775978  -0.7383804222
C    4.0299829158   0.5151734608  -0.9986781252
C    3.1835870496   2.8276991873   0.2489742089
C    2.0124543634  -3.3176758295  -0.5217268611
C    4.7043366591   1.7094188605  -1.2116511390
C    4.2837828147   2.8708455875  -0.5898328733
C   -0.6309345040   2.0369866784  -0.3124115451
C   -2.7350209906   0.7031891973  -0.4405721573
C   -3.3477803443  -1.0019132302   0.8916670544
C   -4.7238596247  -0.2455767254  -0.6996956948
C   -3.0179867361  -1.9306512504   2.0012289720
C   -6.2337750524   0.5088187237  -2.3557809949
H    2.2069301333  -1.1201730269   1.1101756270
H    1.1527917051  -0.7440077700  -0.2353184718
H    2.7773404642  -1.8393017074  -1.8104834699
H    3.8169238074  -2.2323643179  -0.4461616964
H    4.3889943359  -0.3678709202  -1.5068373697
H    2.8514545512   3.7351217856   0.7307975565
H    5.5611525291   1.7239962476  -1.8715132341
H    4.7986842534   3.8070210636  -0.7529552459
H   -0.7657649825   0.4897868296   1.0469473946
H   -2.1573587773   2.2451017275  -1.6125908502
H   -3.8873015131  -2.5003944688   2.3157021242
H   -2.2444041445  -2.6290611923   1.6767757355
H   -2.6163490908  -1.3824554463   2.8525527406
H   -5.5534695986   0.3914029141  -3.1980380301
H   -6.2403356610   1.5490733647  -2.0337383711
H   -7.2355526015   0.2202541081  -2.6595783756
*