! 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   -2.3896909464  -0.2332836742  -1.6969565232
F    0.3499480164   4.3226983247   0.7577445930
F    0.0744940773   3.1205903907  -1.0149154642
F    7.0567231721  -1.4940260984   0.5565378836
F    5.2803291739  -2.3964138702   1.3911450432
O   -2.6426306532  -0.7999096435  -3.0036178784
O   -2.6857679398   1.1648559160  -1.4467402220
O   -3.7263140707   1.4347208024   1.6656457582
O   -1.6281795975   0.7225457598   1.3578242056
O   -0.6492421428  -2.6048595137  -1.7294063386
O    1.8520200590   2.8374638566   0.3092120694
O    5.2644103006  -0.2962969860   0.6478885126
N   -0.7667264688  -0.3724953722  -1.3497604502
N    1.1871934591  -1.5687793428  -0.9373610420
N    1.4775634979   0.6573855870  -0.3099948514
N    3.2144430834  -0.9278079565  -0.1504635778
C   -3.2222834740  -1.2138416824  -0.4812344161
C   -3.4370042177  -0.7099912527   0.8030683338
C   -3.7394849378  -2.4399684797  -0.8667469398
C   -4.1829870520  -1.4621940037   1.6975917233
C   -4.4650972708  -3.1892924951   0.0475065409
C   -4.6861864367  -2.7010595205   1.3238942338
C   -2.8210911497   0.5611829552   1.2868122425
C   -0.1194967322  -1.5760816561  -1.3667835867
C    1.9789573390  -0.5598999721  -0.4489189655
C    2.2995677214   1.5807510946   0.1611576722
C    4.0032223367   0.0157290891   0.3172572932
C    3.6112359365   1.3308167654   0.5045068820
C   -3.2547613793   2.6844562616   2.1871607895
C    0.4941064509   3.0886708581   0.2631112950
C    5.7285151078  -1.5800638279   0.4225720979
H   -3.5921730083  -2.8152447250  -1.8686723771
H   -0.2915019639   0.4363079291  -0.9423558797
H   -4.3629248245  -1.0903873609   2.6971924340
H   -4.8625030762  -4.1497665270  -0.2484859309
H   -5.2583808705  -3.2799882476   2.0353067246
H    1.6363251832  -2.4739568778  -0.9939704051
H    4.2716421754   2.0922881284   0.8910146592
H   -2.6306050457   2.5360711521   3.0669156829
H   -4.1433764157   3.2439821021   2.4610880340
H   -2.7006354890   3.2390597666   1.4298335763
H   -0.1012431429   2.3797177158   0.8367054645
H    5.4708423657  -1.9818777528  -0.5551035896
*