! 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   0.2926368310   1.6080565839   0.3879126655
Cl  -4.8208064476   0.0868568121  -0.2692470734
O    0.9022948990  -0.9224475006  -0.9846140728
O    3.7366787553   1.9572460420   0.8268613521
O    3.4377712346   0.1724896303   2.1258338227
C    3.0575305807  -1.5331031890  -0.1538639388
C    1.5664819380  -1.5940743671   0.0915401167
C    3.6224930253  -0.1243841810  -0.2575623065
C   -0.4179397587  -0.7056438808  -0.7983597905
C    3.5719114714   0.6535071915   1.0271277027
C   -0.8648137492   0.4534686199  -0.1665101875
C   -1.3589132024  -1.6185044069  -1.2546463295
C   -2.2160635723   0.7081277690  -0.0002982544
C   -2.7152255604  -1.3831684798  -1.0999791849
C   -3.1302274152  -0.2215423646  -0.4693818824
H    3.2934953637  -2.0724604562  -1.0738097369
H    3.5470319174  -2.0804063414   0.6541083120
H    1.3047082746  -1.1319969460   1.0480827521
H    1.2367962310  -2.6375325821   0.1333654396
H    3.1355523663   0.4442568670  -1.0511514655
H    4.6783188665  -0.1781825006  -0.5441253298
H   -1.0230033252  -2.5193320422  -1.7523728736
H   -2.5465590747   1.6149960409   0.4869377355
H   -3.4352933555  -2.1014192743  -1.4668898098
H    3.7505123021   2.4248879984   1.6756430720
*