! 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  -4.2470751222  -0.1312464492  -0.5268611748
O    1.3137470360  -0.2602603132   1.2860245584
O    2.9985925215   1.8798112107  -0.9516515004
O    1.5775583896   0.4154884334  -1.8462293736
C    2.7649241263  -1.6385822949  -0.1371852173
C    2.1442154312  -1.4108278120   1.2293593223
C    3.4968434549  -0.4097357783  -0.6608614888
C    0.0418429872  -0.3057893416   0.8424131253
C   -0.6819744141   0.8887553871   0.9785681761
C   -0.5616382326  -1.4307591182   0.2952850989
C   -2.0001799278   0.9196826408   0.5508024186
C   -0.0419137673   2.0993042105   1.5869602449
C   -1.8847687534  -1.3846764734  -0.1256580177
C    2.5722383292   0.6444590315  -1.2033546199
C   -2.5948213110  -0.2081380456   0.0020116805
H    2.0274121690  -1.9763350706  -0.8677271514
H    3.4790847680  -2.4571507518  -0.0247315838
H    2.9342947079  -1.2167377386   1.9565684898
H    1.6096030955  -2.3015613607   1.5734375064
H    4.1445139891  -0.7009991524  -1.4943418671
H    4.1536626812   0.0107491644   0.1025481296
H   -0.0237553095  -2.3615358035   0.1787220460
H   -2.5666759558   1.8371437829   0.6505139871
H    0.8661614999   2.3934826056   1.0573679067
H   -0.7238852506   2.9487107746   1.5689353076
H    0.2405981286   1.9257956459   2.6279300685
H   -2.3402770004  -2.2678136848  -0.5527478515
H    2.4140805265   2.5217054198  -1.3824948629
*