! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   0.2917970753   1.3173742901   1.1877469289
Cl   4.7547964994   2.2209193124   1.0047520871
Cl  -2.9067519901   4.7993604717  -1.3533984059
S    0.2603611240  -2.9235754478  -0.1695133620
N   -2.3360019950  -2.7394822282   1.1270377169
N   -0.4346187059  -0.5502174028  -1.0428743570
N   -1.9054763865  -3.3774318829   2.2187738266
N   -3.3626645871  -4.6468899527   1.0877674042
C   -1.8466749192  -1.4335325110   0.7748918455
C    1.6605066507  -2.4283238710  -1.2184368117
C   -0.7180245628  -1.4737853292  -0.2321103552
C    2.4427022867  -1.2746948560  -0.6636692098
C    3.0328002450  -1.3494596116   0.5938320363
C    2.5925795096  -0.1059239890  -1.4006570761
C   -1.0726248962   0.6809170246  -1.0599704959
C    3.7476764726  -0.2820413257   1.1129241032
C    3.3086064106   0.9703560033  -0.9005377577
C   -3.2003417593  -3.5109209109   0.4587431682
C   -0.7924889072   1.6676879104  -0.1107249982
C   -1.9339819602   1.0104687240  -2.1056794893
C    3.8744375874   0.8738200234   0.3589369510
C   -1.3506199615   2.9334194782  -0.1931950638
C   -2.5085988380   2.2648916887  -2.1989546825
C   -2.2091034909   3.2198447034  -1.2401670810
C   -2.5481361666  -4.5134380354   2.1549300852
H   -1.4950887168  -0.9520634071   1.6879237437
H   -2.6707805220  -0.8358705829   0.3853052539
H    1.2995934818  -2.2221890625  -2.2256418722
H    2.2715912769  -3.3322057226  -1.2729374071
H    2.9301957086  -2.2482509466   1.1899269495
H    2.1366341761  -0.0238588217  -2.3785989301
H    4.1983989334  -0.3536339247   2.0937608441
H    3.4095047598   1.8750781437  -1.4846832757
H   -3.6777795778  -3.2019507283  -0.4584822859
H   -2.1499164765   0.2646126510  -2.8593599240
H   -1.1143507255   3.6811514965   0.5512889205
H   -3.1774866432   2.4924113468  -3.0172866325
H   -2.4295702045  -5.2769229749   2.9080156001
*