! 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   0.1755655647   0.5283851686  -2.3673631119
Cl  -3.6412076260   3.2335668300   0.1487734097
O    1.3364071063  -0.7780488460   1.9161233545
N   -0.3359087107  -2.2922465572  -0.0419705826
N   -0.7654610409  -2.5811519448   1.1892692025
N   -2.4005161530  -2.9010747156  -0.2966027620
C    1.1813061798  -0.4442644538   0.5576642683
C    2.4734909048   0.2755691087   0.1487584918
C    0.9872740550  -1.7512841400  -0.2427800812
C    3.7403599834  -0.5733940532   0.2146915269
C   -0.0225655232   0.4983605189   0.3842800827
C    4.9900244017   0.2619340490  -0.0386206033
C   -0.5291669235   0.9570056151  -0.8340423341
C   -0.6811088261   0.9566826054   1.5250189414
C    6.2711130689  -0.5547538499   0.0327180940
C   -1.6336030284   1.7932094840  -0.9167843617
C   -1.7817464585   1.7939957222   1.4773288047
C   -1.3226471194  -2.4802860583  -0.9170516978
C   -2.2576604975   2.2027760183   0.2462390886
C   -2.0088911252  -2.9415104913   0.9887160496
H    2.5816055449   1.1392733674   0.8119464104
H    2.3675184423   0.6803801131  -0.8586934314
H    1.7183493806  -2.4858333925   0.0956172525
H    1.1332248317  -1.6203273867  -1.3102270051
H    3.8210809365  -1.0559143069   1.1920937457
H    3.6986668861  -1.3766999865  -0.5277712681
H    5.0358076634   1.0745653639   0.6926876753
H    4.9159156374   0.7405991771  -1.0199735995
H    0.6503501877  -1.4192959091   2.1608530686
H   -0.3217876219   0.6536784893   2.4970347250
H    6.2801994931  -1.3516787822  -0.7135109840
H    7.1500292161   0.0672956476  -0.1431680009
H    6.3915972490  -1.0210866153   1.0126581693
H   -1.9986116184   2.1167332918  -1.8816512259
H   -2.2571971734   2.1142722018   2.3941018692
H   -1.2119269665  -2.3073009649  -1.9760880374
H   -2.6526815363  -3.2460092925   1.7989708166
*