! 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   1.2457805857   0.2938517256  -2.9443296803
Cl   2.2207177715  -4.2006972502  -0.2560475193
O   -1.5712704667   1.2088616226   0.4586103922
O   -1.2044355830   1.4168019994  -1.7308351289
N    1.1795922881   2.0636185413   0.9480795529
N    2.3749399662   1.4705393402   0.9133559172
N    1.7538528533   1.8578275956   3.0287867187
C   -0.5708557070   1.1612057182  -0.5186076306
C   -2.8417711123   0.9761033322  -0.1595524425
C   -2.4782138461   0.8095089610  -1.6352852757
C   -3.5515057368  -0.2256133735   0.4304468176
C    0.4260571290   2.2954026984  -0.2563205149
C    0.1205207551  -0.2030421811  -0.4988769747
C   -3.8801501639  -0.1138420682   1.9160271088
C    0.9471751434  -0.6542991489  -1.5256176901
C   -0.0119146291  -1.0262248931   0.6148952238
C   -4.8701397875   0.9918302526   2.2536340996
C    1.5899636197  -1.8816120596  -1.4632831291
C    0.6240244637  -2.2519218686   0.7098949531
C    0.8179014505   2.2830320129   2.2154147625
C    1.4194842231  -2.6717343584  -0.3404861240
C    2.6811282727   1.3696932635   2.1804205887
H   -3.4442067576   1.8793531033  -0.0205500144
H   -2.4358274139  -0.2472060633  -1.9275625641
H   -3.1640390260   1.3244438606  -2.3066936074
H   -2.9484598869  -1.1209505916   0.2521359102
H   -4.4787048453  -0.3668623134  -0.1361215613
H   -0.1176823975   3.2362197472  -0.1672731327
H    1.1320159916   2.3894597082  -1.0783688354
H   -2.9601086785   0.0280211425   2.4899000696
H   -4.2917037979  -1.0715854653   2.2445940562
H   -0.6270780671  -0.7048026604   1.4429358030
H   -4.4734265609   1.9858149279   2.0403724343
H   -5.7984142502   0.8795918434   1.6891992569
H   -5.1284219944   0.9736027948   3.3134198077
H    2.2182660479  -2.2102835537  -2.2794369492
H    0.4966188985  -2.8629551634   1.5925164726
H   -0.1124985432   2.7540093303   2.4904742806
H    3.6112837189   0.9313969599   2.5074634266
*