! 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  -0.4256226427   1.0220043784   2.7928243691
Cl   4.1403164659   1.3311890835   0.0336257925
N   -1.2258864699  -2.2950363847  -0.3972379284
N   -1.7135191954  -2.6176476280  -1.5967312977
N    0.3000706269  -3.5483774720  -1.2985016616
C   -1.7665589392   0.0844372240   0.1618925301
C   -2.5384556658   0.4962514166  -1.0935777619
C   -1.9251818207  -1.4071470715   0.5009794443
C   -0.3026410837   0.4478683530   0.1345551800
C   -2.4777874824   1.9894625976  -1.4057557624
C    0.3941663577   0.8535214539   1.2717488574
C    0.4431846623   0.3198920548  -1.0364215289
C   -2.9308623067   2.8878065949  -0.2639957978
C    1.7531777767   1.1307849286   1.2573498189
C    1.8008708488   0.5837018618  -1.0870010588
C   -0.0233930655  -2.8518926305  -0.2354981148
C    2.4457678831   0.9909407859   0.0681782445
C   -0.7677294249  -3.3706252599  -2.0997538906
H   -2.2360895256   0.5951895534   1.0049485467
H   -2.2063373315  -0.0700178804  -1.9659102544
H   -3.5825503356   0.2070176131  -0.9384592594
H   -2.9803718787  -1.6795078048   0.4991727998
H   -1.5439579586  -1.6000059921   1.5035517881
H   -1.4655468287   2.2713832129  -1.7084877572
H   -3.1088699868   2.1743967283  -2.2786922580
H   -0.0465925244   0.0046633100  -1.9487823547
H   -3.9340484616   2.6254808780   0.0800274138
H   -2.9561840941   3.9323781774  -0.5777440941
H   -2.2633255303   2.8337268775   0.5982312824
H    2.2583289997   1.4476672331   2.1593615263
H    2.3429293422   0.4707494556  -2.0157089386
H    0.5664949222  -2.7285121967   0.6598070634
H   -0.8528309273  -3.8117515507  -3.0810412018
*