! 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  -1.0127355055   2.1841404087  -2.3448928787
Cl  -4.6302101408  -0.6202611963   0.4732945717
O    0.8557250847   0.2670677727  -1.3728002477
O    5.4421984340  -0.9765339628   2.4027624698
O    3.6418781773   0.1874471352   3.0104298104
C    2.4511605977  -0.0617536978   0.4512204316
C    1.9749086323  -0.4873606722  -0.9270616333
C    3.7080591642  -0.8286468580   0.8284808216
C   -0.3668577316   0.0037169622  -0.8975311253
C    4.2325759882  -0.4685716421   2.1890312546
C   -1.3940872623   0.8635825514  -1.3019444494
C   -0.6974721014  -1.0555824136  -0.0573091314
C   -2.7000427363   0.6792547694  -0.8894622872
C   -2.0042706431  -1.2511995180   0.3642024989
C   -2.9974429413  -0.3845912778  -0.0520439806
H    1.6746155329  -0.2305414111   1.1998020097
H    2.6561051237   1.0110099566   0.4390744728
H    1.7634225038  -1.5610623972  -0.9687410663
H    2.7505333863  -0.2925098894  -1.6685246217
H    4.5006968980  -0.6692677155   0.0924669109
H    3.5190350901  -1.9079780359   0.8290978829
H    0.0553859885  -1.7523006759   0.2841615665
H   -3.4721275693   1.3612392733  -1.2181605397
H   -2.2321941205  -2.0812932493   1.0183625352
H    5.7433049002  -0.7497060232   3.2957524670
*