! 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   -1.4825428574  -2.4110932009   0.7412837208
F    3.5857622065   5.7800490406   2.5017875532
F    1.6275935533   5.5171440653   1.6263437003
F    3.2742234356  -1.5593477951  -2.4906225389
F    2.4938658049  -2.0903274807  -0.5482659505
O   -1.8563106539  -3.0363685163   1.9913116718
O   -0.7071048674  -3.1565600658  -0.2322704718
O   -1.7297884902  -2.0309075524  -3.3032620566
O   -0.7804880324  -0.6009060934  -1.8698744031
O   -2.0544754500  -0.0679711810   2.4294512802
O    3.2439865515   4.0188765512   1.3045228307
O    3.2796498322  -0.0387954322  -0.9574794105
N   -0.5463537827  -1.0723889883   1.0668264935
N   -0.1851282956   1.0722189778   1.8972353016
N    1.5235379459   2.5363694544   1.5990347741
N    1.5397341016   0.4808540392   0.4471413624
C   -2.9516821963  -1.8062096070  -0.0461290670
C   -2.9433523760  -1.4563420939  -1.3987032581
C   -4.1294110807  -1.8156557114   0.6832867932
C   -4.1438497546  -1.1176487214  -2.0059278187
C   -5.3169404968  -1.4506433240   0.0658946194
C   -5.3235906619  -1.1056601123  -1.2742819806
C   -1.6894238214  -1.3237085894  -2.1958087191
C   -1.0003931682  -0.0349618210   1.8312688451
C    1.0077146503   1.3594385754   1.2818555319
C    2.6712604972   2.8378722358   1.0298082122
C    2.6919518065   0.8176891117  -0.1077598733
C    3.3394501318   2.0086286553   0.1441635924
C   -0.6140666924  -1.9181910288  -4.1955815886
C    2.6476649475   4.8702390501   2.2166554816
C    2.5555196855  -1.1026690855  -1.4606543575
H   -4.1368970959  -2.1122292105   1.7215193620
H    0.2977902195  -0.9336511875   0.5060428566
H   -4.1613636160  -0.8418688164  -3.0514876912
H   -6.2348696886  -1.4496000381   0.6363300595
H   -6.2487666587  -0.8289369448  -1.7602910593
H   -0.5378743275   1.8015443020   2.5037163023
H    4.2783900132   2.2752540241  -0.3169032439
H   -0.8635356449  -2.5263207839  -5.0589521398
H    0.2953671653  -2.3042202658  -3.7355998215
H   -0.4591152418  -0.8869527196  -4.5085570621
H    2.3046126180   4.3813978419   3.1261041127
H    1.5525481932  -0.8321397098  -1.7885298513
*