! 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   0.7407244427  -1.2296620967   2.5730471722
Cl   4.4373172510  -1.3940410107  -1.2598703097
O   -2.0306843769   0.0104083787  -0.7649743599
O   -1.8686741218  -1.1623685736   1.1313804265
N   -0.5402338542   2.1823965598   0.5719849564
N    0.7260792804   2.4269327738   0.9158157061
N    0.1165980306   3.7260363692  -0.8019674704
C   -1.2517726327  -0.1626346480   0.3863075903
C   -2.9326040219  -1.0907391043  -0.9056590629
C   -2.4626466711  -2.0398262529   0.1918350109
C   -1.2931460499   1.1329757833   1.2077143620
C    0.1780437384  -0.5301392230  -0.0112071280
C   -4.3704006831  -0.6313899319  -0.7410776824
C   -4.7746878887   0.4634800387  -1.7147811748
C    1.1266881284  -0.9852909500   0.9023749162
C    0.5984801879  -0.3511807181  -1.3250669064
C    2.4330563676  -1.2588103293   0.5282180089
C    1.8974011672  -0.6122968648  -1.7276773546
C   -0.8891025363   2.9592770051  -0.4573141046
C    2.8067951745  -1.0651187671  -0.7899500751
C    1.0778911969   3.3586009178   0.0687441679
H   -2.7926602367  -1.5292731743  -1.8982485707
H   -3.2745543625  -2.5771378478   0.6814738187
H   -1.7379271347  -2.7716573363  -0.1816701624
H   -0.8767250511   0.9818684463   2.2006388571
H   -2.3303746456   1.4488512638   1.3211439545
H   -4.5354426824  -0.3002679368   0.2892640175
H   -5.0100646244  -1.5061603241  -0.8894060060
H   -4.2022223448   1.3786665578  -1.5578007753
H   -4.6275052167   0.1521305991  -2.7514476267
H   -5.8293269248   0.7159587494  -1.5960282596
H   -0.1033561029   0.0074738913  -2.0641652107
H    3.1468926384  -1.6140058446   1.2583973377
H    2.1876081315  -0.4603516115  -2.7579890289
H   -1.8691110961   2.9387597916  -0.9070054757
H    2.0641653382   3.7959688773   0.0817834218
*