! 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    0.6131719315  -0.2318778424   1.0161176973
F    4.7589594991  -4.0051181249  -0.1533954448
F    4.5878955863  -3.1617065259  -2.1256107849
F    2.8299768265  -3.8365339660  -1.0910327302
O    0.8165078628  -1.6051689678   0.6042748031
O    0.4024403093   0.0464935158   2.4266175327
O   -0.1567348061   0.0265746453  -1.8454502570
O   -4.4578127643   1.2443096918   2.5647293411
N   -0.7768325086   0.3683211693   0.3100987309
N   -2.2884115227   0.6440035287  -1.4366128526
N   -4.5263089039   1.0761742259  -1.3875222262
N   -3.3149922571   0.9509502253   0.6218917419
N   -5.6260388196   1.3672619243   0.6737519207
C    2.8611996295   0.4483350564  -0.5302305331
C    2.9996044774  -0.9027789496  -1.1797880369
C    1.8973101692   0.8305345604   0.4093426377
C    3.8380275390  -1.8412874994  -0.3097752924
C    3.8124711388   1.4118267727  -0.8685156522
C    1.8804491320   2.1090101129   0.9668321529
C    4.0013117414  -3.2047511913  -0.9182062334
C    3.8071123347   2.6826341670  -0.3228221965
C    2.8329322355   3.0381427097   0.5984174566
C   -1.0086601591   0.3172644767  -1.0332464405
C   -3.4122203222   0.8984247286  -0.6993852301
C   -5.6110100677   1.3060391403  -0.6508840759
C   -4.4510671238   1.1836122151   1.2551089912
C   -6.8984545184   1.4700638242  -1.3715330443
C   -3.2304270318   1.0551702625   3.2726942088
H    2.0313298481  -1.3376498448  -1.4046588026
H    3.5040860033  -0.7495556561  -2.1342544768
H    4.8333958877  -1.4200975138  -0.1535811396
H    3.3869750290  -1.9659954656   0.6750452712
H    4.5755314966   1.1488560442  -1.5900940630
H    1.1239605234   2.3915858622   1.6859411055
H    4.5635095057   3.3963780870  -0.6193587297
H    2.8142415497   4.0283639680   1.0309709852
H   -1.5653149761   0.6066996811   0.9267514067
H   -2.4247129938   0.6223571179  -2.4394210724
H   -6.7648285034   2.0463401731  -2.2847465683
H   -7.2725790276   0.4859670422  -1.6625458502
H   -7.6488094715   1.9444037837  -0.7453549592
H   -3.4824000597   1.1465956184   4.3247218509
H   -2.5001655060   1.8210700298   3.0134657331
H   -2.8157032847   0.0639425651   3.0919400677
*