! 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  -0.0141843839   0.7301724854  -1.8192346549
Cl   4.2845514946  -2.2306319336  -0.8248928653
O   -2.0363565628   0.0292220428   0.0999984751
O   -1.6407903820  -1.1487579108   1.9333331389
N   -0.3676740440   2.1822995305   1.1476415627
N    0.9485965883   2.3700356113   1.0231010915
N   -0.1779473609   3.9237521321  -0.1300691508
C   -1.0839609066  -0.1854823407   1.0798097281
C   -2.5952711092  -1.2425714826  -0.2016506620
C   -2.4707142926  -1.9860754240   1.1383785237
C   -0.9092628411   1.0891343975   1.9090289512
C    0.2491011785  -0.6901848353   0.5198721327
C   -4.0085064730  -1.0739504069  -0.7126251959
C   -4.0833974206  -0.2798808733  -2.0077034339
C    0.7881167751  -0.3322094689  -0.7145164568
C    1.0133707197  -1.5330956144   1.3247612140
C    2.0235544825  -0.8085674374  -1.1335792793
C    2.2504227778  -2.0139915592   0.9359169468
C   -1.0266411136   3.1126181135   0.4510154904
C    2.7446659302  -1.6450156126  -0.3026653698
C    1.0149858409   3.4213940481   0.2478021732
H   -1.9877844616  -1.7408966800  -0.9688907480
H   -3.4315663775  -2.1024445748   1.6452828607
H   -2.0255117649  -2.9759906399   1.0124419777
H   -0.2490008657   0.8982986900   2.7537874038
H   -1.8824505254   1.3881593083   2.2995809474
H   -4.6184484738  -0.6001385684   0.0624314138
H   -4.4255885876  -2.0726993771  -0.8675464962
H   -3.7235841483   0.7409085052  -1.8776164056
H   -3.4848140217  -0.7436079970  -2.7940478105
H   -5.1110092966  -0.2228997867  -2.3680992810
H    0.6327923008  -1.8284497248   2.2928946415
H    2.4161629536  -0.5208586654  -2.0989067744
H    2.8127473201  -2.6650965041   1.5906605922
H   -2.1032636809   3.1616638788   0.4070863706
H    1.9598446616   3.8490201852  -0.0505119275
*