! 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   0.6259594981   0.8564544172  -2.2854866456
Cl   2.9260126671   4.3648409923   0.9970083137
O   -1.2389448883  -0.6525837949  -0.5906582285
O   -0.7273647283  -1.1656397802   1.5068417518
N    0.0402014925  -3.1256965688  -0.4282287716
N   -0.3545655239  -3.4547711521  -1.6594538122
N   -1.0873349885  -4.9602961170  -0.1735060143
C   -0.1687456904  -0.7850665193   0.2863303801
C   -2.4013032058  -0.2886552980   0.1470522432
C   -1.9788164224  -0.5096515301   1.6074670249
C    0.7616343506  -1.9075059651  -0.1760242275
C    0.6192716235   0.5183597510   0.4296906892
C   -2.8445641028   1.1316705313  -0.1527347644
C   -4.1479465107   1.4745227045   0.5538161175
C    0.9956532192   1.3075350809  -0.6562105803
C    1.0124178749   0.9478550093   1.6937751643
C    1.7045120034   2.4881434325  -0.4909599978
C    1.7185883595   2.1225842559   1.8886591067
C   -0.4084340570  -4.0276682360   0.4486314256
C    2.0534564150   2.8886738731   0.7866066585
C   -1.0231744907  -4.5596938208  -1.4590779130
H   -3.1960653635  -0.9848969186  -0.1386386712
H   -1.8789079386   0.4382245435   2.1495412224
H   -2.6623775130  -1.1505411526   2.1629963574
H    1.5174686019  -2.0831290299   0.5895522730
H    1.2807901004  -1.6334883564  -1.0915484616
H   -2.0611632800   1.8345468435   0.1464703709
H   -2.9729205030   1.2437186193  -1.2317506475
H   -4.0576723559   1.4136018392   1.6403846024
H   -4.4625373565   2.4905158858   0.3155375258
H   -4.9540102667   0.8028034613   0.2529168094
H    0.7594601661   0.3533410896   2.5607678033
H    1.9786433628   3.0834199879  -1.3509232132
H    1.9990928472   2.4288142003   2.8867312390
H   -0.2092875638  -3.9730398679   1.5068432351
H   -1.4793413591  -5.1033077805  -2.2719861542
*