! 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   0.1031486551  -0.8597428658   2.8315566376
Cl  -4.4490271797  -1.1745868584   0.0310593707
O    3.5267206678  -1.3541290060  -0.4218173208
N    2.1890070506  -1.5850060463  -0.3470711983
N    1.2537435097   3.0234479145  -2.3644896251
C    2.0377785358   0.7460349741   0.5183992937
C    1.5170939887  -0.6103144592   0.1121317770
C    0.0466628402  -0.8120010372   0.1239828502
C    1.3586599992   1.8134270865  -0.2953921872
C   -0.6969195189  -0.8839193351   1.2970605630
C   -0.6428845369  -0.8781036282  -1.0830608972
C    0.2153334108   2.4666967035   0.1464875139
C    1.8298298716   2.1381183939  -1.5631296888
C   -2.0777885775  -0.9988132944   1.2844893307
C   -2.0209529385  -0.9953651166  -1.1289676483
C   -2.7262173545  -1.0459290254   0.0619053037
C   -0.3964791824   3.3933633549  -0.6814300520
C    0.1580723557   3.6334270283  -1.9286323631
C    4.1838139274  -2.4926179998  -0.9465430298
H    1.8406712894   0.9069283917   1.5801641051
H    3.1174582595   0.7995616617   0.3912540246
H   -0.0878893459  -0.8200784657  -2.0100526472
H   -0.1934502635   2.2566924014   1.1277829263
H    2.7219281654   1.6505513447  -1.9459507733
H   -2.6329694574  -1.0562343201   2.2103141438
H   -2.5326974449  -1.0374395306  -2.0802258317
H   -1.2876646815   3.9200973419  -0.3686572355
H   -0.2980208621   4.3515439328  -2.6007886465
H    4.0577688966  -3.3666541970  -0.3033883250
H    5.2413204403  -2.2383108581  -0.9920309808
H    3.8348481912  -2.7350946539  -1.9529622618
*