! 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   0.8594628061  -1.2612838603   2.6081610566
Cl   4.1568829479  -1.5144019925  -1.5689026888
O   -2.1665525447   0.1893513108  -0.4001816070
O   -1.8558090548  -0.9805434894   1.4701803684
N   -0.4072839428   2.2833794949   0.7102213883
N    0.8984549897   2.4631591607   0.9203644606
N    0.1929234776   3.7517326551  -0.7686825387
C   -1.2706165310  -0.0181947984   0.6429289629
C   -2.7907376409  -1.0627504400  -0.6710494146
C   -2.7823426692  -1.7352058950   0.7038954735
C   -1.1481894841   1.2862519172   1.4386621770
C    0.0898988835  -0.4656436299   0.1074867794
C   -4.1658595558  -0.8401057168  -1.2585752135
C   -4.1401728412  -0.1516936442  -2.6138848130
C    1.0920478318  -1.0024580362   0.9118249767
C    0.3991004031  -0.2537067105  -1.2326659699
C    2.3394057918  -1.3349730844   0.4054112542
C    1.6363457404  -0.5706220809  -1.7661321214
C   -0.8140297668   3.0528217445  -0.3034286150
C    2.5993965596  -1.1136834641  -0.9352908891
C    1.2144581115   3.3522019497   0.0153810089
H   -2.1780799287  -1.6370072834  -1.3784589562
H   -3.7606762930  -1.6923130656   1.1910150614
H   -2.4725940779  -2.7806961415   0.6432715023
H   -0.6337079959   1.1138642761   2.3808730881
H   -2.1464154860   1.6645093745   1.6614723856
H   -4.7718615493  -0.2681696457  -0.5495677248
H   -4.6432949808  -1.8193731403  -1.3539385329
H   -3.5565101440  -0.7226033037  -3.3391917840
H   -5.1495883202  -0.0490402504  -3.0142243281
H   -3.7096395027   0.8489914715  -2.5546319950
H   -0.3433703266   0.1787249012  -1.8887762643
H    3.0972957402  -1.7529761130   1.0532866246
H    1.8389014012  -0.3902630247  -2.8126264787
H   -1.8333782563   3.0745768645  -0.6550866978
H    2.2197108860   3.7318829250  -0.0819232072
*