! 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   0.5166378695  -0.2892271286  -2.4819623672
Cl   3.9211881162  -3.7439428592  -0.2796226190
O   -1.4228632600   0.3343050773  -0.3604983187
O   -0.7688634348   0.4766210767   1.7779429156
N   -0.6410567216   2.9437434047   0.4769149198
N   -1.5229500199   3.3732968182  -0.4274934398
N   -1.8700132492   4.3774162300   1.5441773615
C   -0.3136623691   0.5146223781   0.4490985651
C   -2.3841759643  -0.4045360944   0.3788217744
C   -2.1390532889   0.1043897445   1.7899554825
C    0.3000887801   1.8966212358   0.1876248782
C    0.7408999757  -0.5704173447   0.2340457029
C   -3.7681939722  -0.1393649220  -0.1675145539
C   -3.9616541608  -0.6520331402  -1.5861864286
C    1.1634791724  -0.9786332921  -1.0306550507
C    1.3498877729  -1.1712881856   1.3320045918
C    2.1362323574  -1.9538961299  -1.1967387554
C    2.3255607308  -2.1439840843   1.1951770683
C   -0.8645038312   3.5439529989   1.6496493283
C    2.7084168723  -2.5300958075  -0.0766618493
C   -2.2351197627   4.2321015213   0.2540758183
H   -2.1592774820  -1.4791121424   0.3189670850
H   -2.7627292564   0.9745113238   2.0225577895
H   -2.3081819128  -0.6579013598   2.5514392075
H    0.6259398384   1.9955597179  -0.8456499553
H    1.1737219995   2.0279334972   0.8254149715
H   -3.9682489953   0.9347591555  -0.1207591649
H   -4.4874830263  -0.6216228477   0.4998623115
H   -3.2659906389  -0.1827293331  -2.2822870857
H   -3.8113908770  -1.7318817482  -1.6438370324
H   -4.9722242557  -0.4436512629  -1.9388522273
H    1.0565156143  -0.8766430905   2.3293241749
H    2.4402115106  -2.2560168247  -2.1893326009
H    2.7751746137  -2.5893109912   2.0717907557
H   -0.2715330777   3.3536478124   2.5301636209
H   -3.0480114635   4.7808648034  -0.1956869961
*