! 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  -5.6607942211  -0.1896215195   0.2167916565
O    2.0200287173  -2.3032276535  -0.7937904799
O    0.0776707060  -0.5625119657  -0.8954612965
N    1.2385136489   1.1777272622   0.1064639953
N    1.0861814953   1.8301494105   1.2631194765
N    1.5075071971   3.2685108050  -0.3979277603
C    3.5819908602  -0.9930073775   0.4270868988
C    2.3597902728  -0.9696859138  -0.5188212384
C    1.0956919953  -0.2594547773   0.0209911784
C    4.7060371914  -1.7444554704  -0.2974625472
C    4.0951231777   0.4157413455   0.7359338441
C    3.2659993966  -1.7117680708   1.7402356062
C    1.4855207579   2.0507133863  -0.8780952802
C   -1.2321921167  -0.4395464037  -0.5555175860
C    1.2599810720   3.0782025586   0.9145721886
C   -2.1377221086  -0.8850477415  -1.5149896401
C   -1.6968439067   0.0862195487   0.6433957450
C   -3.4976031791  -0.8106301647  -1.2810769833
C   -3.0646032807   0.1583125153   0.8770260314
C   -3.9564508881  -0.2874572613  -0.0804340936
H    2.6637525428  -0.4467056214  -1.4398070927
H    0.8516356473  -0.6124425463   1.0267859099
H    4.4590262454  -2.7882874732  -0.4871137917
H    4.9467538523  -1.2773999536  -1.2559541842
H    5.6148522645  -1.7288003283   0.3071262628
H    5.0630107918   0.3475162114   1.2368662764
H    3.4421692389   0.9729030868   1.4061947381
H    4.2461872603   1.0085193380  -0.1691037067
H    2.5131436146  -1.1892735347   2.3342480906
H    4.1646364092  -1.7691252948   2.3575568060
H    2.9176282609  -2.7325042504   1.5802828885
H    1.3733203839  -2.3225868658  -1.5059337844
H    1.6346421012   1.7650858310  -1.9076030464
H    1.2039769478   3.8831177713   1.6305864702
H   -1.7726983089  -1.2953282484  -2.4479724879
H   -1.0316451450   0.4581768927   1.4102051071
H   -4.1911940721  -1.1616851119  -2.0330231854
H   -3.4196253753   0.5715088315   1.8113145307
*