! 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   0.5617276725   0.8995988861   2.5787769704
Cl   3.7972617157  -2.2533089758  -0.2614487958
O   -1.0668619400   2.4270574939   0.5585345992
N   -2.4849332606  -0.8867332972   0.0717081712
N   -3.0855665325  -2.4206343873  -1.3925755983
C   -1.1600912587   1.1753783411  -0.0602014648
C   -2.2900821492   0.4222951657   0.6500464392
C    0.1293099949   0.3829322074  -0.0659601318
C    0.9366995814   0.1760702462   1.0494532395
C    0.5095366666  -0.2456494457  -1.2472720098
C   -1.8759553833  -2.0492694053   0.4556630165
C   -3.1894036422  -1.1643630796  -1.0479441175
C   -0.1894492269   3.3391290037  -0.0762122153
C    2.0677310013  -0.6248699676   0.9985959823
C    1.6250211595  -1.0605842547  -1.3307206250
C    2.3963318380  -1.2418133999  -0.1964078410
C   -2.2645560058  -2.9846133865  -0.4574903577
C   -0.6766330969   3.7544064618  -1.4282196303
C    0.0285937245   3.6155310271  -2.5434769894
H   -1.4605967120   1.2897100075  -1.1115849892
H   -2.0869022880   0.3096167945   1.7140237759
H   -3.2148840101   0.9920883410   0.5526256873
H   -0.0927770056  -0.0990499142  -2.1354126140
H   -1.2422292770  -2.1106582983   1.3249058229
H   -3.7686412149  -0.4091934121  -1.5582431597
H   -0.1420582086   4.2049974251   0.5885936500
H    0.8279256114   2.9345240713  -0.1483022145
H    2.6767592757  -0.7677128582   1.8805151989
H    1.8822043395  -1.5410404933  -2.2642841437
H   -1.9971474496  -4.0297371565  -0.4859200089
H   -1.6664702544   4.2012959879  -1.4689267897
H   -0.3504510871   3.9550893300  -3.4992156615
H    1.0174908983   3.1709007703  -2.5436954357
*