! 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  -0.1133804201  -1.0756685032   2.2651956428
Cl   0.5680695189  -5.2566653920  -0.9639297512
O   -0.7482906780   1.1806696099   0.4327000131
O    0.3436712481   1.3495017877  -1.5190317159
N    1.6915366268   2.6590296972   0.5737130157
N    1.1855136634   3.3002898464   1.6286243537
N    1.9370727761   4.7634895146   0.1100516727
C    0.3829030156   0.7493195905  -0.2524771484
C   -1.7262092838   1.5924886108  -0.5177145348
C   -0.8498719324   2.1074127080  -1.6507369334
C   -2.6606774561   0.4688482974  -0.9427113916
C    1.6523939698   1.2257325624   0.4675216810
C    0.4278097104  -0.7716499051  -0.4022411741
C   -3.4477656500  -0.1752725909   0.1933542579
C    0.2091608656  -1.6455819063   0.6611573774
C    0.7201154232  -1.3387570453  -1.6393467061
C   -4.4505596515   0.7591214913   0.8546701815
C    0.2469643809  -3.0226651474   0.4978664408
C    0.7703547852  -2.7088049838  -1.8300663356
C    2.1310414485   3.5427817378  -0.3261741492
C    0.5246847394  -3.5422475891  -0.7535404409
C    1.3555829219   4.5563153835   1.3082826717
H   -2.2926321899   2.4041225732  -0.0570641322
H   -1.2785800394   1.9348885168  -2.6392901329
H   -0.6348138711   3.1752813043  -1.5491011935
H   -2.0975981820  -0.2994469107  -1.4810122247
H   -3.3602618539   0.8930165067  -1.6708849661
H    2.5238929262   0.8912201104  -0.0951308274
H    1.7274995259   0.8077201797   1.4688992429
H   -2.7615047765  -0.5717139424   0.9446621101
H   -3.9806224437  -1.0397217631  -0.2102430863
H    0.9072089728  -0.6977580551  -2.4887169357
H   -3.9695684413   1.6074204934   1.3441005125
H   -5.1597867609   1.1583380654   0.1268593704
H   -5.0272059086   0.2364421235   1.6192002277
H    0.0633336345  -3.6759707277   1.3394682687
H    0.9951652795  -3.1125102386  -2.8073101006
H    2.5889360807   3.2543986373  -1.2586379064
H    1.0553276404   5.3569296826   1.9662036622
*