! 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   0.0517955366  -1.1905167065   1.7780919359
Cl  -7.3707536373   2.3830036069   0.9951266375
O    3.4689812627  -0.0161188045  -0.9303002387
O    2.7669901883  -0.1266373237   1.1750408060
O   -2.6686071757   0.6952148812  -2.0578276105
N    4.0259015419  -2.5049613344   0.3428214526
N    4.2227155860  -2.8181504757   1.6249053352
N    6.1573692149  -2.8729133595   0.4990749620
C    2.5140442848  -0.6144370716  -0.1016265580
C    3.9191633951   1.2004849401  -0.3285269692
C    2.7283109627  -2.1284257089  -0.1484322537
C    3.1543981019   1.2222315319   0.9990202271
C    1.1012611339  -0.2697099967  -0.5743337916
C    5.4232116072   1.1722808602  -0.1779234715
C   -0.0397549657  -0.4844011199   0.1970184178
C    0.9066386790   0.2695214362  -1.8434597404
C   -1.3111273613  -0.1667824373  -0.2573210433
C   -0.3463814691   0.6097474215  -2.3177718617
C   -1.4581913015   0.3938263471  -1.5180931711
C    5.1873868515  -2.5358417400  -0.3157104990
C    5.5111145122  -3.0346465586   1.6714788822
C   -3.7267363265   1.0766670894  -1.2808780972
C   -3.5979329153   1.9881568256  -0.2409442787
C   -4.9716358047   0.5701971175  -1.6232624499
C   -4.7231046477   2.3844832382   0.4644959915
C   -6.0985088844   0.9770439531  -0.9273137145
C   -5.9658050807   1.8781702195   0.1169075126
H    3.6245212405   2.0433071071  -0.9604362917
H    2.6258267160  -2.4651955524  -1.1799363575
H    1.9798003702  -2.6510026395   0.4426128920
H    3.7691339663   1.5227030486   1.8476023072
H    2.2823125959   1.8838480768   0.9540314245
H    5.7441375398   0.4042947318   0.5279687871
H    5.9120766003   0.9856636639  -1.1350376564
H    5.7774377322   2.1367849077   0.1887618000
H    1.7613321095   0.4392293913  -2.4829240745
H   -2.1692146242  -0.3667549725   0.3705982879
H   -0.4613970090   1.0361541310  -3.3056176957
H    5.2743090272  -2.3187960201  -1.3683804593
H    6.0064428983  -3.3262613065   2.5848418192
H   -2.6342670544   2.4025100917   0.0263470354
H   -5.0644865008  -0.1345370182  -2.4394335813
H   -4.6232635857   3.0932075201   1.2752529132
H   -7.0688056411   0.5855366388  -1.2007797674
*