! 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   0.8097236179  -0.3103453879   2.4035767299
Cl  -7.0702172427  -1.9173213400   0.7261610159
O    3.4128135351  -1.1067050598   1.1635326941
O    3.9797302786  -0.1711942532  -0.8027217189
O   -2.1928236213   0.3009121481  -1.6322516342
N    3.0891194025   2.4367378892   0.3650772260
N    3.7513813546   2.8815555297  -0.7038039311
N    1.9045654902   4.1019085127  -0.3635550468
C    3.1429996558  -0.0317864309   0.3103366252
C    4.1709503821  -2.0819649493   0.4527206045
C    3.4981407811   1.2569768127   1.0789164643
C    4.9083333746  -1.2107394843  -0.5496134633
C    1.6950426184  -0.0053630560  -0.1673284627
C    3.2921610508  -3.1423818731  -0.1800302808
C    0.6046353878  -0.1023738186   0.6930748504
C    1.4098108462   0.1861239803  -1.5175986000
C   -0.7058750969  -0.0173442396   0.2454516725
C    0.1154434948   0.2588118950  -1.9950362522
C   -0.9465747481   0.1586129542  -1.1089473372
C    1.9854268529   3.1669268473   0.5501880740
C    3.0076052158   3.8801909045  -1.1053821058
C   -3.2915522616  -0.2409132734  -1.0249415073
C   -4.4215910997   0.5575754278  -0.9338509717
C   -3.3192797527  -1.5568716584  -0.5822652853
C   -5.5914662251   0.0403668444  -0.4007818611
C   -4.4845959371  -2.0702178223  -0.0359265344
C   -5.6130565222  -1.2694481990   0.0506527920
H    4.8557006369  -2.5419541062   1.1674623731
H    4.5739937731   1.2962114382   1.2511593409
H    3.0090782696   1.2688609587   2.0508395068
H    5.8423319708  -0.8145629939  -0.1369307933
H    5.1328370430  -1.7176601256  -1.4888561123
H    3.9136193825  -3.9289790266  -0.6103926871
H    2.6648431419  -2.7404398103  -0.9777309722
H    2.6419273256  -3.6040325653   0.5637102254
H    2.2219706164   0.2746247529  -2.2240299699
H   -1.5183892105  -0.0800277610   0.9570559813
H   -0.0705776650   0.4011662425  -3.0515022512
H    1.2916539516   2.9890744305   1.3575643437
H    3.2737845645   4.4786896079  -1.9628630883
H   -4.3930396482   1.5801048766  -1.2876184365
H   -2.4468040382  -2.1926759524  -0.6627827323
H   -6.4739290832   0.6623180620  -0.3368325319
H   -4.5073527603  -3.0944551749   0.3103548660
*