! 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   0.0280445217  -0.9872198906   2.1968662440
Cl   0.2145519657  -5.1630254882  -1.1051454409
O   -0.5744069366   1.3181544775   0.3855127085
O    0.4656972003   1.4621734818  -1.5762954760
N    1.8707245448   2.6643125385   0.5703934282
N    1.5121879197   3.1949061959   1.7412481579
N    2.0330581328   4.8072580438   0.2781993541
C    0.5109436292   0.8306659252  -0.3310011646
C   -1.6213457227   1.6230040480  -0.5292557327
C   -0.8745718475   1.8329186434  -1.8549106563
C   -2.6832597470   0.5380126769  -0.6018122791
C    1.8211285777   1.2450545528   0.3461341626
C    0.4567411822  -0.6900165151  -0.4906895658
C   -3.3959074254   0.2826174457   0.7190540044
C    0.2252183418  -1.5598689047   0.5742333983
C    0.6436925793  -1.2602732261  -1.7461568364
C   -4.4416046039  -0.8159774498   0.6078177805
C    0.1482478268  -2.9326085971   0.3951908111
C    0.5734443451  -2.6274007001  -1.9544426546
C    2.1718306585   3.6367129951  -0.2947446967
C    0.3168954376  -3.4539818311  -0.8755350728
C    1.6261794288   4.4782789791   1.5210088333
H   -2.0790599916   2.5535330977  -0.1834908687
H   -1.2875992752   1.2177176617  -2.6601565285
H   -0.8861024640   2.8737326275  -2.1816750208
H   -2.2434527067  -0.3932067086  -0.9747863786
H   -3.4131713870   0.8512752005  -1.3561350232
H    2.6571648653   0.9472921881  -0.2866220469
H    1.9452205807   0.7526907653   1.3072561526
H   -3.8702272575   1.2076368340   1.0616923898
H   -2.6660639054   0.0103735049   1.4842325403
H    0.8450874533  -0.6222888026  -2.5950931866
H   -3.9915121773  -1.7622337477   0.3000134896
H   -4.9411274205  -0.9877352473   1.5624025772
H   -5.2116924451  -0.5655044823  -0.1246745932
H   -0.0398375654  -3.5824585829   1.2385728969
H    0.7147151489  -3.0342589998  -2.9460569821
H    2.4933156120   3.4486611275  -1.3066057758
H    1.4183022117   5.2075552846   2.2887974881
*