! 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    2.0390643192  -1.5741123751  -0.2968895430
F   -0.1973393145   1.7087058242  -0.3923626164
F    0.0592936439   1.5507027370  -2.5300680859
F    0.8709783628   3.2273896721  -1.4641851888
O    1.7758024921   1.1946969763  -1.2865174064
O    2.3307095455  -2.7035411845   0.5576607101
O    2.4868606111  -1.5849980237  -1.6732566370
O   -4.9111369089  -0.5586607494   1.4687259676
O    0.0460407391  -1.2557757020   1.8372728959
O   -1.8512492190  -0.9573937443  -1.8873372000
N    0.3835120865  -1.3717353929  -0.4056459605
N   -1.7381432065  -1.0581481585   0.4470282264
N   -3.6619710988  -0.7000877360  -0.4514761735
N   -2.6201880554  -0.9369268901   1.4969735125
C    2.5950457737  -0.1074677237   0.5187215099
C    2.4255294663   1.1444402958  -0.0674685889
C   -0.3904308951  -1.2336998418   0.7147992615
C    3.2674063972  -0.2310507719   1.7251248980
C   -2.3574778644  -0.9081314148  -0.7817119252
C   -3.7450046664  -0.7309155193   0.9121729666
C    2.9377167495   2.2732670275   0.5411752970
C    3.7688263533   0.9020681645   2.3442400000
C    3.6065758322   2.1431174525   1.7511674557
C   -4.7507447111  -0.4852938916  -1.3810851105
C    0.6424237418   1.9178665605  -1.4067438101
C   -4.9588268290  -0.6102262222   2.9003608481
H   -0.0324498814  -1.3336982313  -1.3386346606
H    3.3997492790  -1.1994567496   2.1849940562
H    2.8438327098   3.2473470214   0.0834296761
H    4.2907983335   0.8093871413   3.2856672613
H    4.0072333415   3.0275157818   2.2262319612
H   -4.3558462046  -0.5300574012  -2.3910080522
H   -5.1976340746   0.4929892492  -1.2241020225
H   -5.5064932405  -1.2580131601  -1.2673141881
H   -6.0003988154  -0.4643497319   3.1667960125
H   -4.3539350266   0.1831745491   3.3373066385
H   -4.6197854577  -1.5788235958   3.2655517256
*