! 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   0.2645038822  -0.4079740034  -2.6627952625
Cl   4.4588479501  -1.9027700238   0.2590458217
O   -2.0589691690  -0.5553083616  -0.8049811921
O   -1.7527679578   0.0841976277   1.3332475973
N   -0.2746861921   2.4254619117   0.3039773103
N    0.9443986860   2.6534636523  -0.1879255961
N    0.7626776983   3.4991196242   1.8764090639
C   -1.2152285857   0.1674322037   0.0417765121
C   -3.0004755583  -1.2818318823  -0.0196408345
C   -3.0681797317  -0.4343175822   1.2364971075
C   -1.2331137344   1.6340047851  -0.4231914790
C    0.2004628431  -0.3942828937   0.0715332113
C   -4.3038514272  -1.4218260836  -0.7746209728
C   -5.3515739583  -2.1669008132   0.0395470686
C    0.9313127587  -0.6569315847  -1.0851411670
C    0.8400241361  -0.6097373200   1.2883221178
C    2.2353039079  -1.1253045999  -1.0374861859
C    2.1434766158  -1.0697137032   1.3661874588
C   -0.3676496531   2.9269552259   1.5375798580
C    2.8315390626  -1.3257887614   0.1944386769
C    1.5287104101   3.3009169742   0.7855573037
H   -2.5976798007  -2.2759822612   0.2170652492
H   -3.8069583253   0.3720208386   1.1442349353
H   -3.2846170536  -1.0022330977   2.1407579135
H   -2.2320351380   2.0460034633  -0.2712165690
H   -0.9988776393   1.7194295721  -1.4814142437
H   -4.1199970725  -1.9565863677  -1.7094438199
H   -4.6738797776  -0.4284162640  -1.0433287632
H   -5.0038364844  -3.1595562505   0.3307495869
H   -5.6220306778  -1.6300307360   0.9508913136
H   -6.2664488285  -2.2981884536  -0.5385543826
H    0.3155185639  -0.4151847510   2.2122454905
H    2.7761713637  -1.3257971731  -1.9517031040
H    2.6072892889  -1.2232713448   2.3305231019
H   -1.2631542695   2.8618549453   2.1347784692
H    2.5467455415   3.6492762397   0.7057245836
*