! 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   1.7160510781   2.4090059800   0.7586911772
Cl   5.4590940124  -1.1760494229  -0.4699652739
O   -1.1704547929  -0.9681872647  -0.0180457658
O   -0.7378869913   0.8339413650   1.2004310164
N   -2.2205304620   1.4255199843  -1.1196476085
N   -2.6387391942   2.5228007353  -0.4862939324
N   -4.3837827484   1.3368850470  -1.2360243363
C   -0.4124755532   0.2027705038   0.0083658478
C   -1.4139605751  -1.3937429303   1.3233053131
C   -0.9409531022  -0.1884187547   2.1543496392
C   -2.8759473694  -1.7451970632   1.5300127567
C   -0.8298887251   1.0713674787  -1.1809193296
C    1.0809832769  -0.1163985357  -0.0874070766
C   -3.3436780225  -3.0474044369   0.8858281458
C    2.0817345217   0.8014244340   0.2297491885
C    1.4868374522  -1.3661152905  -0.5466287342
C   -3.3758813634  -3.0696211192  -0.6360002862
C    3.4271878454   0.4828811941   0.1185914107
C    2.8221896370  -1.7097347163  -0.6710774469
C   -3.2702210489   0.7245962924  -1.5554462750
C    3.7844894845  -0.7763486408  -0.3297454019
C   -3.9390154989   2.4305811458  -0.5844865464
H   -0.7954374051  -2.2712764426   1.5444540166
H   -1.6854050003   0.1564460804   2.8727882124
H   -0.0184713496  -0.4137427882   2.6992995651
H   -3.4997831634  -0.9048819961   1.2068199878
H   -3.0246052590  -1.8375125116   2.6098168432
H   -0.6443661482   0.5223641483  -2.1033751528
H   -0.2443098442   1.9871316831  -1.2199691373
H   -4.3500592709  -3.2576541132   1.2575995866
H   -2.7164857336  -3.8675540032   1.2497355929
H    0.7393574587  -2.0984304237  -0.8182286963
H   -3.8090051295  -4.0056355327  -0.9935052187
H   -3.9897967790  -2.2584445395  -1.0322531873
H   -2.3840234794  -2.9845078499  -1.0775454932
H    4.1825106833   1.2117340632   0.3783134763
H    3.1005011292  -2.6915313134  -1.0282212265
H   -3.1736622861  -0.2012980510  -2.0991535900
H   -4.5953124523   3.1823039836  -0.1737829778
*