! 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   0.7439305414  -0.8274425210  -2.1657851342
Cl   5.5962750704  -0.8023039311   0.0330640396
O   -1.1124628643  -0.4099741926   0.0695610217
O   -0.5648027682   0.9424953448   1.7715988646
N   -1.9611098948   2.1587551867  -0.4434287069
N   -2.5198151275   2.9174530538   0.5027141511
N   -4.0875358708   2.0879071803  -0.8642488969
C   -0.2661834582   0.6248648164   0.4391447711
C   -1.5258753697  -1.0970998526   1.2431023476
C   -1.5117307781   0.0174721447   2.2786577770
C   -2.8805396352  -1.7289232651   1.0159828967
C   -0.5582616800   1.8481814735  -0.4440834582
C    1.2054232139   0.2356820910   0.3171221470
C   -2.8914946439  -2.7882249893  -0.0789586187
C    1.7302498854  -0.4049205775  -0.8052678851
C    2.0926352466   0.5517482495   1.3417092220
C   -4.2774627579  -3.3758672782  -0.2940483643
C    3.0753876946  -0.7296480376  -0.8992240564
C    3.4402929553   0.2419883626   1.2729266474
C   -2.9081144196   1.6611859712  -1.2430521952
C    3.9197481678  -0.4019290627   0.1469556628
C   -3.7924336296   2.8512575945   0.2072846466
H   -0.7882639607  -1.8696039933   1.5011081015
H   -2.4907703479   0.4991407590   2.3739599299
H   -1.1984263006  -0.3288686663   3.2643513077
H   -3.6055368379  -0.9420234517   0.7830842874
H   -3.2020613890  -2.1752094580   1.9622376997
H   -0.2456381794   1.6705030297  -1.4719280830
H   -0.0032376941   2.7099406292  -0.0764118598
H   -2.1893939119  -3.5868097259   0.1785676129
H   -2.5309954843  -2.3528888070  -1.0141109918
H    1.7255242548   1.0547176918   2.2246454591
H   -4.6602695148  -3.8437395210   0.6152356940
H   -4.9930188679  -2.6072172318  -0.5934025855
H   -4.2700903681  -4.1369044672  -1.0755401436
H    3.4552277065  -1.2308468180  -1.7787143533
H    4.0998683921   0.5012183118   2.0893847352
H   -2.6921729212   1.0125410603  -2.0771950798
H   -4.5380195926   3.3773284955   0.7832653734
*