! 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   3.9872088622  -1.7226335146  -0.6177109792
Cl   3.4138048852   0.7474308006  -1.9715128404
Cl   5.3703530571   0.6819642140   0.1340145525
Cl  -3.9872665823   1.7237474757   0.6139655718
Cl  -5.3707697774  -0.6834835717  -0.1283200685
Cl  -3.4098333702  -0.7421390449   1.9731170343
O    3.4786092583   1.6355482304   3.0968509162
O   -3.4791781972  -1.6424400634  -3.0954598132
N    1.3605242886   0.1705098439   0.2806056141
N   -1.3611643921  -0.1725692260  -0.2849297338
N    3.0700372948  -0.2476292674   1.8824693875
N   -3.0744328318   0.2433507460  -1.8838996312
C   -0.6185799963  -1.2215636122   0.3814993746
C    0.8491465678  -1.1523010628  -0.0084696199
C   -0.8495997887   1.1503370388   0.0036246453
C    0.6182204753   1.2194333514  -0.3860831156
C    2.7133513049   0.3926856725   0.6447269675
C   -2.7149679398  -0.3945936477  -0.6457510346
C    3.8115444381   0.0302455592  -0.4098180048
C   -3.8109981450  -0.0296271587   0.4102040467
C    3.4047596221   0.4273346308   2.9983301387
C   -3.4100921699  -0.4338500482  -2.9981093851
H   -1.0163550197  -2.1937717815   0.0865770991
H   -0.6870288360  -1.1548311758   1.4743203441
H   -1.3798325956   1.9057043803  -0.5769686951
H   -0.9595238271   1.4152561501   1.0637893599
H    0.9589715944  -1.4167435402  -1.0687654343
H    1.3794732448  -1.9079970542   0.5716017657
H    1.0159215807   2.1916894356  -0.0913012434
H    0.6870182916   1.1523925433  -1.4788693398
H    2.8329328482   1.4675696817   0.7951667485
H   -2.8353265802  -1.4696660609  -0.7938764343
H    3.0292999483  -1.2531609049   1.9506826205
H   -3.0361971691   1.2488819366  -1.9534062239
H    3.6119375255  -0.2520974068   3.8363473060
H   -3.6202314704   0.2439575942  -3.8366494862
*