! 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   0.3560683328   1.0110927667  -2.4431875295
Cl   3.0224970807   4.3710240648   0.7136910808
O   -1.4053273942  -0.4861962039  -0.6359176993
O   -0.7009708374  -1.0510635346   1.4220357622
N   -0.0316093598  -3.0566656135  -0.4086313896
N   -0.9120756351  -3.4282020582  -1.3406503383
N   -0.7717526893  -4.9806313356   0.2673179097
C   -0.2701913941  -0.6674849788   0.1492232001
C   -2.5934843659  -0.7049754127   0.1131447098
C   -2.0809130065  -1.3684261675   1.3884937927
C    0.6232196250  -1.7774925370  -0.4392139166
C    0.5505816045   0.6131206496   0.2595126810
C   -3.3809798228   0.5787634301   0.3237567195
C   -2.6567702385   1.6881842687   1.0704466022
C    0.8688529029   1.4100188770  -0.8385047201
C    1.0426638671   1.0110274085   1.4992827221
C    1.6237286219   2.5669126286  -0.7070675627
C    1.8023895753   2.1570098299   1.6574050226
C    0.0375268509  -3.9884852222   0.5467691282
C    2.0823850493   2.9313074383   0.5456854749
C   -1.3267912346  -4.5871815741  -0.8969716297
H   -3.2162920446  -1.4036907570  -0.4516594607
H   -2.5536827473  -0.9821684650   2.2934316670
H   -2.2315507235  -2.4518736072   1.3714044018
H    1.5376986098  -1.8524667991   0.1482505606
H    0.9066340120  -1.5513779739  -1.4652494548
H   -3.7047812971   0.9497075620  -0.6523555668
H   -4.2963947628   0.3059645862   0.8570516806
H   -1.7979618857   2.0595283908   0.5116840162
H   -3.3270827636   2.5343722114   1.2263359217
H   -2.3053543342   1.3757411522   2.0554351499
H    0.8249580372   0.4170266633   2.3750801590
H    1.8478603741   3.1715788930  -1.5749424772
H    2.1652646312   2.4372215756   2.6366083293
H    0.6863729772  -3.9033160298   1.4042962315
H   -2.0542121573  -5.1758162419  -1.4345637581
*