! 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    1.0162019228   2.3336413975  -1.1188586319
F    1.9690390825  -4.3567303741  -0.7807519056
F    1.5186582319  -3.0475216462  -2.4282329058
F    0.2859945955  -3.0204176928  -0.6672476710
O    0.9469741568   3.7790576824  -1.0565360572
O    0.9318881106   1.6881699558  -2.4159983676
O    0.1185885767   2.8280858109   1.6550376105
O   -5.3487424699  -1.1781949363   2.0251014716
N   -0.2656719876   1.6853969572  -0.2701616866
N   -1.6536366673   1.4338062145   1.5760274594
N   -2.2916714741   0.0152336568  -0.1542279168
N   -3.5065428890   0.1465453856   1.8547292588
N   -4.1908494745  -1.3239152227   0.1388302455
C    2.8158772227   0.4310415814  -0.1797575576
C    1.9914971914  -0.6599067353  -0.8176435211
C    2.4560694918   1.7884868582  -0.2417349768
C    2.4514197158  -2.0728088391  -0.4803379865
C    3.9879037272   0.1369608230   0.5095390410
C    3.2188216337   2.7851474185   0.3524096009
C    1.5592418083  -3.1181822162  -1.0889978071
C    4.7631843563   1.1254642968   1.0998996418
C    4.3823457352   2.4528576904   1.0249699618
C   -0.5461170105   2.0395394450   1.0187797880
C   -2.5071501081   0.4979750949   1.0579937814
C   -3.1636874456  -0.9072086774  -0.5720088914
C   -4.3143079262  -0.7579430788   1.3391030192
C   -2.9308082310  -1.4890443515  -1.9175942890
C   -5.5927520460  -0.6330239815   3.3231472127
H    0.9529823364  -0.5482381143  -0.5016675374
H    2.0054766459  -0.5231069257  -1.8992576796
H    3.4629035636  -2.2541508206  -0.8482470105
H    2.4617753908  -2.2334135883   0.5993656558
H    4.3194845533  -0.8877690190   0.5949152791
H    2.9160096710   3.8201631794   0.2962367635
H    5.6688864759   0.8475827259   1.6217180737
H    4.9777911221   3.2282277796   1.4858212520
H   -0.8746474933   0.9859890275  -0.7222868135
H   -1.8606781001   1.7363321292   2.5195571691
H   -1.9816728522  -2.0267989778  -1.9289839680
H   -3.7244693416  -2.1750586150  -2.1978265894
H   -2.8577473050  -0.6991850355  -2.6649957020
H   -5.7549061943   0.4424197210   3.2783349470
H   -4.7739576194  -0.8513636411   4.0064023381
H   -6.4968692278  -1.1190201816   3.6771454261
*