! 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   0.1640683924   0.1252831421  -2.0259049084
Cl   3.6635927966   2.9540746763   0.7968226212
O   -2.0214633282  -0.5451905003  -0.2525646308
O   -1.8525426111  -0.5232923038   1.9627888717
N    0.0978235822  -2.6441991343  -0.2671783313
N    1.4251910869  -2.5029029217  -0.2723897272
N    0.7294405434  -3.4417328441  -2.1811709684
C   -1.1235300860  -0.7488626524   0.7915222663
C   -3.0210464071   0.3824119851   0.1699665879
C   -2.7481492593   0.5337933942   1.6732347565
C   -0.7011000331  -2.2213330108   0.8494451775
C    0.0793033273   0.1950153603   0.7196954447
C   -2.9597683195   1.6934001917  -0.5922351256
C   -4.0844848367   2.6287841439  -0.1702856145
C    0.6912049711   0.6240199719  -0.4570825182
C    0.6396334795   0.6290333675   1.9192830499
C    1.7881345788   1.4749030106  -0.4376536053
C    1.7369717505   1.4697431692   1.9670739338
C   -0.3033849210  -3.2025313426  -1.4124022917
C    2.2998507811   1.8930070934   0.7763368240
C    1.7601418921  -2.9906489582  -1.4383906726
H   -3.9933213771  -0.0901794260  -0.0035501762
H   -2.2960362144   1.5051274216   1.9085393951
H   -3.6381529638   0.4124570915   2.2893845102
H   -1.5989474372  -2.8386741576   0.8860703920
H   -0.1318077536  -2.4009501889   1.7607261009
H   -1.9916274467   2.1751845549  -0.4256624978
H   -3.0338632222   1.4926963689  -1.6630570296
H   -5.0645113769   2.1858700319  -0.3579427716
H   -4.0357444128   2.8810370839   0.8911990638
H   -4.0378303091   3.5667527333  -0.7234954589
H    0.2037003277   0.3048202982   2.8542802485
H    2.2377949883   1.7998611755  -1.3656028119
H    2.1406945443   1.7864417757   2.9185766571
H   -1.3372890613  -3.4184157674  -1.6311397684
H    2.7884461059  -3.0330384883  -1.7626621581
*