! 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   2.0750442198  -0.3062388804   1.8301468776
Cl   2.8696557023   4.5613639548  -0.1782305662
O   -1.5122927099  -0.3844856068  -0.9049695529
O   -0.6919906163  -0.9948504182   1.0786459725
N   -0.2334081820  -2.9314587079  -0.8924718293
N   -0.0147525368  -3.8535999626   0.0468537873
N   -1.6611351158  -4.5062811240  -1.3221501065
C   -0.3208859557  -0.5798650351  -0.1946730313
C   -2.6118467752  -0.3171159694   0.0051418421
C   -1.9198011502  -0.3546122218   1.3638285433
C    0.4790455676  -1.6822606729  -0.8944746926
C    0.4964060113   0.7124189353  -0.1624496065
C   -3.4603066018   0.9138600165  -0.2384238381
C   -4.6809272778   0.9391099121   0.6706966926
C    1.5690265563   0.9099503381   0.7068032699
C    0.2017667989   1.7422485848  -1.0511221188
C    2.3000528081   2.0888282379   0.7101453492
C    0.9173526641   2.9273688314  -1.0727321691
C   -1.2212011442  -3.3302777319  -1.6985215950
C    1.9623243897   3.0913043918  -0.1813479434
C   -0.8880832154  -4.7789791491  -0.2520686335
H   -3.2237844800  -1.2158350703  -0.1366877914
H   -1.7579681499   0.6545459464   1.7652063907
H   -2.4526656096  -0.9420023592   2.1099145020
H    1.4391377391  -1.8457713271  -0.4103150831
H    0.6758757463  -1.3794221817  -1.9227992971
H   -2.8573014431   1.8130244944  -0.0813446102
H   -3.7839275574   0.9261114365  -1.2820372683
H   -5.3024808238   0.0530292407   0.5288233974
H   -4.4071404060   0.9854348362   1.7265526694
H   -5.3012721067   1.8104473598   0.4608823751
H   -0.6118484951   1.6228547056  -1.7521259427
H    3.1221437190   2.2175701229   1.4003662606
H    0.6568578917   3.7065392941  -1.7754001442
H   -1.5719305594  -2.7483142637  -2.5358706149
H   -0.9705704360  -5.6897106194   0.3209135111
*