! 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   0.5456502535  -2.0796424890  -1.7004211264
Cl   5.2280844058  -0.6246706467   0.4454293094
O   -1.0928145747   1.5248840662   0.2449120951
N   -2.8829842185  -0.7471910334   0.5767334816
N   -4.7960522398  -1.3921158278  -0.3085322773
C   -0.7203808834   0.2219184530  -0.0996337604
C   -1.4644173493  -0.7237547464   0.8425918227
C    0.7740721223   0.0056805820   0.0234220716
C    1.4336282334  -1.0116032430  -0.6593778017
C    1.5392245379   0.8154498884   0.8561491600
C   -3.8112996714   0.1907523314   0.9352968022
C   -3.5274071907  -1.6695307648  -0.1731025142
C   -0.8910028493   2.4786482510  -0.7668137055
C    2.7983643094  -1.2192879818  -0.5413939265
C    2.9050013466   0.6346111548   0.9966417678
C    3.5232219883  -0.3839357885   0.2911985349
C   -4.9859281699  -0.2299327516   0.3832894850
C   -1.2395303446   3.8419142075  -0.2800566197
C   -1.6475615232   4.1617207872   0.9405457425
H   -1.0308788219  -0.0014598249  -1.1303227495
H   -1.0843342092  -1.7392003394   0.7356415969
H   -1.2916443392  -0.4232306919   1.8771437442
H    1.0616718725   1.6153079745   1.4063243947
H   -3.5682426248   1.0464323876   1.5406053580
H   -3.0160702794  -2.5265054001  -0.5848599964
H    0.1524020411   2.4843765708  -1.1151052685
H   -1.5026088916   2.2409436246  -1.6497415338
H    3.2827119614  -2.0148791882  -1.0901366738
H    3.4741533290   1.2831915148   1.6477607140
H   -5.9533431651   0.2427497460   0.4512152658
H   -1.1320811458   4.6185588058  -1.0303607981
H   -1.8741264099   5.1895993329   1.1913933931
H   -1.7726502015   3.4339217283   1.7307599209
*