! 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  -4.4319268933  -0.0951307121  -0.6963048930
O    1.3148717574   0.2121290131   0.3534051581
O    3.6680303699   0.5756980660   1.2474023398
O    4.3517709266  -1.4552637499   0.6210861124
C    2.2665120238  -0.6597866154  -0.2163966162
C    0.0035762061   0.0763878959   0.0602351638
C   -0.8344097159   1.0463137854   0.6317008447
C   -0.5296922063  -0.9349341234  -0.7288710411
C    2.5926782682  -0.2918322213  -1.6594334125
C   -2.1967525195   0.9724339202   0.3864235759
C   -0.2632469899   2.1302157294   1.4934267633
C   -1.8978454449  -0.9947173366  -0.9635159957
C   -2.7222044686  -0.0389115303  -0.4062376076
C    3.5337416294  -0.5702898635   0.6095119784
H    1.9335279405  -1.7010809111  -0.1579460576
H    3.3454235055  -0.9696274241  -2.0607515873
H    2.9740331602   0.7275156276  -1.7260697908
H    1.7123852885  -0.3678697635  -2.2969296983
H    0.0926334547  -1.6963613600  -1.1783177793
H   -2.8529024163   1.7157707884   0.8212015119
H    0.2386821423   1.7234361163   2.3732397776
H    0.4737087771   2.7298659823   0.9567272728
H   -1.0470888454   2.8014159745   1.8411137992
H   -2.2988234546  -1.7869629789  -1.5808152022
H    4.5125122434   0.5901629847   1.7244058033
*