! 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   3.7632956519   2.0690562335   0.1000268858
Cl   3.2886962365   0.3416319206   2.3568109267
Cl   5.4026776025  -0.2396466992   0.4923800549
Cl  -5.4021235800  -0.2610653127  -0.4653414479
Cl  -3.7292735511   2.0572767332  -0.5018370677
Cl  -3.2676929640  -0.0725501095  -2.3857625816
O    3.7798934706  -2.5575207469  -1.9344803033
O   -3.8107029171  -2.1177196076   2.3665407526
N    1.4213942231  -0.4071533187   0.1553035036
N   -1.4257102428  -0.4082057592  -0.0636244768
N    3.1406945180  -0.4008687482  -1.5716747201
N   -3.1608005800  -0.0677920947   1.6138464630
C   -0.6916174333   0.8055620403   0.2484459249
C    0.7004238249   0.7474191639  -0.3520916191
C   -0.7061171156  -1.5662431676   0.4443500051
C    0.6860101318  -1.6256468133  -0.1476255023
C    2.8073069763  -0.5312060630  -0.1748264381
C   -2.8154253546  -0.4574241838   0.2691746272
C    3.7473413171   0.3808117382   0.6603049542
C   -3.7364172334   0.2935420212  -0.7315001824
C    3.5741845576  -1.4278087105  -2.3294912834
C   -3.6063467802  -0.9340157292   2.5452132929
H   -0.6024191060   0.9695833844   1.3327729881
H   -1.1871806019   1.6752520585  -0.1766450593
H   -0.6299094345  -1.5552718161   1.5420428746
H   -1.2368711600  -2.4765039148   0.1602585873
H    1.2065924251   1.6687462886  -0.0738452699
H    0.6106097133   0.7326166301  -1.4486553522
H    0.6084151335  -1.8016877550  -1.2310924323
H    1.2065296907  -2.4807050866   0.2875424165
H    3.1015346538  -1.5404182475   0.1191053543
H   -3.1182874717  -1.5007543998   0.1631209752
H    2.9840979053   0.4789150556  -2.0401985918
H   -3.0067969103   0.8842467785   1.9109906629
H    3.7271472997  -1.1258045621  -3.3748534698
H   -3.7712069579  -0.4409790503   3.5133081076
*