! 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  -4.2100901928  -0.0991333579  -0.5726835931
O    1.3414647337  -0.2510631644   1.2704894660
O    1.5675833126   0.4067692296  -1.8274961546
O    2.9457306475   1.8589106521  -0.8508346896
C    2.7146495024  -1.6654601122  -0.2031321491
C    2.1720753843  -1.4004756608   1.1904715696
C    3.4842704563  -0.4852641225  -0.7909576400
C    0.0627623997  -0.2960302291   0.8431867857
C   -0.6446880263   0.9126026430   0.9386721796
C   -0.5607822631  -1.4336031505   0.3461703706
C   -1.9590141960   0.9488114893   0.4983594160
C    0.0050096025   2.1341242569   1.5145527590
C   -1.8800487434  -1.3818289929  -0.0854913671
C    2.6525635939   0.7205282674  -1.1274193059
C   -2.5681700402  -0.1874833099  -0.0154533372
H    1.9294425436  -1.9910414205  -0.8876225121
H    3.4024544606  -2.5090886020  -0.1130274301
H    3.0009480229  -1.1899964310   1.8678668772
H    1.6596909770  -2.2844774903   1.5821209717
H    3.9653358790  -0.8059530501  -1.7205649629
H    4.2819542610  -0.1707476751  -0.1173110449
H   -0.0413405188  -2.3795020437   0.2777659047
H   -2.5108191264   1.8784574408   0.5604418617
H    0.8953092868   2.4289138730   0.9569873033
H   -0.6832527167   2.9782142583   1.5056276228
H    0.3160102751   1.9738872519   2.5490502190
H   -2.3494407149  -2.2743169890  -0.4764313637
H    1.0695266903   1.2076492265  -2.0458717642
*