! 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    0.3433366204  -0.8405947214  -1.0151284215
F    5.8813769906  -1.7362699835   0.3762647732
F    4.9997571817  -1.0964610756  -1.4775536908
F    5.5833766755  -3.1492842105  -1.2192235194
O   -0.0074768651  -0.6667878537  -2.4140961781
O    0.5846884291  -2.1812256084  -0.5228925511
O   -0.0897841731  -0.4181214861   1.8719636189
O   -6.5017034760   1.7920232792   1.9814651175
N   -0.9633373937  -0.1849848369  -0.2085741497
N   -2.1879451149   0.3876220164   1.6830149423
N   -3.4231091618   0.7611756918  -0.2526625399
N   -4.3357803688   1.1007490817   1.8880733433
N   -5.6448837176   1.4749324348  -0.0401536538
C    2.7602589396  -0.0523171998   0.2007050063
C    3.0348328471  -1.3846915448   0.8484782722
C    1.6708794340   0.2677989351  -0.6170077576
C    3.6597773655  -2.4455201655  -0.0608204651
C    3.6839400248   0.9700956455   0.4261278165
C    1.5245756413   1.5328725580  -1.1867258152
C    5.0234671931  -2.1033282809  -0.5900557668
C    3.5456131019   2.2308393884  -0.1242560661
C    2.4613227364   2.5165850081  -0.9409130228
C   -1.0115184901  -0.0994246934   1.1507833057
C   -3.3513807294   0.7597465337   1.0679736820
C   -4.5999513200   1.1295920521  -0.7655841519
C   -5.4515159834   1.4440570331   1.2772078313
C   -4.7075715631   1.1708845630  -2.2451203274
C   -6.4111043276   1.8069096293   3.4071863632
H    3.6948530494  -1.2103628700   1.6984863615
H    2.1271164516  -1.8081191713   1.2675051293
H    3.7517788481  -3.3706669920   0.5110221246
H    3.0181170459  -2.6659586606  -0.9135659778
H    4.5349153022   0.7656675271   1.0631875101
H    0.6762711469   1.7660666812  -1.8159878201
H    4.2857282703   2.9911138656   0.0853903878
H    2.3402835870   3.4965621815  -1.3804336008
H   -1.7845767753   0.1269728956  -0.7478503937
H   -2.1985604505   0.4269038902   2.6942417668
H   -4.2358153911   0.2985552448  -2.6940008007
H   -5.7428682868   1.2314519554  -2.5676002024
H   -4.1796231340   2.0508298535  -2.6184448364
H   -6.1740851921   0.8205647638   3.8028080729
H   -7.3933454026   2.1090430657   3.7576739735
H   -5.6686148270   2.5258257891   3.7503225649
*