! 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  -0.0287479897  -1.3569247082  -2.0551944648
Cl   4.8230186700   0.3308418716  -0.6358899405
O   -1.6342632605  -1.2192763148   0.4453969628
O   -1.3269437827   0.4509734445   1.8683527856
N   -1.2315365795   2.1838931001  -0.7228223496
N   -1.0017251339   3.1303887285   0.1872958584
N   -0.0641317618   3.6794826929  -1.7712122646
C   -1.1051529865   0.0612262141   0.5455887052
C   -1.3942382534  -1.8817116344   1.6808695712
C   -1.2327472590  -0.7160474829   2.6727792239
C   -2.5477956889  -2.8111833139   1.9922220480
C   -1.9146530125   0.9626906604  -0.3963518729
C    0.3908204555   0.0944591208   0.2254961840
C   -2.7769859541  -3.8882774829   0.9389844830
C    0.9468802213  -0.5118285533  -0.8990289720
C    1.2554507618   0.7976301265   1.0592756603
C   -3.9514335401  -4.7895723477   1.2869755174
C    2.3052433679  -0.4472870496  -1.1711720526
C    2.6153438655   0.8783817040   0.8143931804
C   -0.6591339799   2.5180980267  -1.8816956922
C    3.1295175759   0.2466251125  -0.3032359294
C   -0.3016819487   4.0070100205  -0.4861739782
H   -0.4621190850  -2.4559299991   1.6128857612
H   -2.0297426180  -0.6822072493   3.4182414639
H   -0.2748542395  -0.7620007548   3.1980330167
H   -3.4591825629  -2.2182248518   2.1272670531
H   -2.3402681512  -3.2823079999   2.9584048912
H   -2.8784631264   1.1892001253   0.0592894173
H   -2.1029910413   0.4353308349  -1.3288155924
H   -1.8702200508  -4.4909262961   0.8282797105
H   -2.9554205338  -3.4230357288  -0.0333074084
H    0.8602928270   1.3047324942   1.9277486380
H   -3.7989588975  -5.2989431396   2.2406940788
H   -4.8791293280  -4.2188478410   1.3646985120
H   -4.1035074199  -5.5570613743   0.5266471308
H    2.7096371840  -0.9298999902  -2.0500177316
H    3.2563783447   1.4301484408   1.4877304807
H   -0.7103736337   1.8974911385  -2.7626609572
H    0.0488007333   4.9224157647  -0.0358632341
*