! 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   1.1604784871  -0.1909847308  -2.4655556850
Cl   5.6263154934  -0.5558634855   0.4166982995
O   -1.0427828866  -0.4637348188  -0.5293372739
O   -0.8532295440   0.3827045630   1.5314471826
N   -1.9892466262   2.1703455482  -0.3406481789
N   -2.7344857624   1.9053696247  -1.4152543267
N   -4.0150393493   2.6635960655   0.2581659932
C   -0.3365825868   0.4534453173   0.2305817087
C   -1.5249017349  -1.4900609041   0.3286640384
C   -1.7255609818  -0.7312753361   1.6376641531
C   -2.7656692431  -2.0925247035  -0.3022837972
C   -0.5828065541   1.8697343255  -0.3055205659
C    1.1638481379   0.1620569953   0.2502420973
C   -3.3022350117  -3.3419356420   0.3912099062
C    1.8990945257  -0.1215484029  -0.9000757995
C    1.8643093546   0.2252768846   1.4513648902
C   -3.8715911218  -3.1247402440   1.7858784339
C    3.2668856631  -0.3491226501  -0.8569612134
C    3.2299915247   0.0091993993   1.5227589280
C   -2.7660031528   2.6133356267   0.6520282009
C    3.9207223365  -0.2811674401   0.3601616027
C   -3.9382237393   2.2172380485  -1.0118052491
H   -0.7563348072  -2.2663335293   0.4513495014
H   -2.7551779000  -0.3795128070   1.7564040299
H   -1.4543926480  -1.3199015741   2.5150164380
H   -2.5159562771  -2.3552985148  -1.3337952233
H   -3.5486452595  -1.3288911529  -0.3562949543
H   -0.1823560700   1.9923317744  -1.3099342147
H   -0.0809460536   2.5902407745   0.3406979618
H   -2.5182862754  -4.1044546013   0.4288273915
H   -4.0881692063  -3.7563132468  -0.2445705472
H    1.3353278849   0.4510101778   2.3660971178
H   -3.1064695606  -2.8615869505   2.5173973387
H   -4.6258526316  -2.3355213484   1.7927311617
H   -4.3519773855  -4.0338455788   2.1506070333
H    3.8107049184  -0.5717493792  -1.7642910547
H    3.7392068112   0.0681689236   2.4743303729
H   -2.3808319368   2.8945480808   1.6192116952
H   -4.7960700691   2.1282442080  -1.6603571033
*