! 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  -1.1928014180   0.6289145585   2.1765781546
Cl  -5.3817454252  -0.4365839943  -0.9680377539
O    2.7037183279   2.3901400023   0.1140441172
N    1.2067112388  -0.7961410794   0.7631064587
N    1.7555435606  -1.0660672264   1.9537591999
N    0.5650176545  -2.8166947653   1.2296687200
C    3.7249376584   0.4304596505  -0.9660269081
C    2.8100633781   0.9889918091   0.1623113256
C    3.1958487907   0.7907222106  -2.3514067993
C    3.8514768024  -1.0890718831  -0.8451929663
C    5.1213917740   1.0366456296  -0.7859610784
C    1.3991531722   0.4493911062   0.1279657402
C    0.3904724527   1.0819774786  -0.4688877684
C   -1.0225597548   0.6788178894  -0.5338866485
C    0.4990995864  -1.8577589493   0.3440304723
C   -1.8306155263   0.4549777898   0.5811851347
C   -1.6221667991   0.5640664981  -1.7887803859
C    1.3427418442  -2.2806477267   2.1944963502
C   -3.1682053591   0.1100205489   0.4578378456
C   -2.9517426677   0.2169001930  -1.9415688813
C   -3.7148622241  -0.0100068118  -0.8076996540
H    3.2552926630   0.6731535963   1.1162893338
H    3.8845087979   0.4337946739  -3.1203799084
H    2.2253317012   0.3339867077  -2.5544538365
H    3.0933331617   1.8686864945  -2.4847634246
H    2.9271164959  -1.6109389309  -1.0949924211
H    4.1544343585  -1.3981460785   0.1578639823
H    4.6113480841  -1.4547316755  -1.5387197308
H    5.8225697552   0.5860587740  -1.4906255177
H    5.5134618430   0.8595758099   0.2188403806
H    5.1479455473   2.1121385852  -0.9755534841
H    0.6326735918   1.9865493611  -1.0132803520
H    3.5766744447   2.7686223878   0.2557342203
H   -0.0106135194  -1.8934067082  -0.6054998301
H   -1.0229851817   0.7449707702  -2.6721516161
H    1.6102588963  -2.8036785236   3.0992576924
H   -3.7729472169  -0.0541312990   1.3388657713
H   -3.3821776832   0.1289387536  -2.9293446295
*