! 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  -4.1644746049  -0.6761457844  -0.1998830362
O    1.4551931073   0.9490216404  -0.2175615279
O    2.3466929674  -0.6555844749   1.6591711642
O    3.3599247161  -2.0063049737   0.1936484548
C    2.5061031835   0.0883032771  -0.5868965372
C    0.1801243011   0.4998267328  -0.2308174286
C   -0.7892736750   1.4457150502   0.1339333836
C   -0.1928944568  -0.7908486168  -0.5827649427
C    3.7537626659   0.9408769972  -0.7510549093
C   -2.1207981107   1.0607389175   0.1366936664
C   -0.3884477815   2.8381875214   0.5141021590
C   -1.5326701011  -1.1600019855  -0.5744183572
C   -2.4873966241  -0.2315541399  -0.2142300615
C    2.7727444221  -0.9868051149   0.4553018444
H    2.2927533283  -0.4124728667  -1.5374740232
H    4.0238468733   1.4425634812   0.1785076041
H    3.5876768528   1.6954955789  -1.5192059385
H    4.5930419151   0.3229411013  -1.0663304604
H    0.5308961475  -1.5392511044  -0.8769836399
H   -2.8783767063   1.7827174194   0.4142732178
H   -1.2658629976   3.4483781252   0.7268573317
H    0.2442015101   2.8478284705   1.4047055879
H    0.1730536608   3.3316297317  -0.2819154684
H   -1.8096132702  -2.1681725634  -0.8503826455
H    2.5642943186  -1.3557498534   2.2946508688
*