! 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  -0.3870981804  -0.6659710707   2.6946666043
Cl   2.0226702855  -4.2168967815  -0.4601072267
O   -1.7190326813   1.2381774836   0.8834908763
O   -0.7688383314   1.7505405154  -1.0872893285
N    1.7532401966   2.2130252215   0.3252782607
N    1.9960634358   2.9859227805  -0.7352103002
N    3.8045216441   1.7681510535  -0.2239623184
C   -0.5102919441   1.2360825842   0.1866371601
C   -2.7870753051   1.3664947039  -0.0503505469
C   -2.1197482201   2.1784541591  -1.1490464742
C   -3.3261940068   0.0156677940  -0.4980935733
C    0.4566709879   2.1636822374   0.9464731552
C    0.0853920686  -0.1623104797   0.0435523100
C   -4.6336788891   0.1401196074  -1.2720474720
C    0.1891831402  -1.0561968756   1.1076390590
C    0.6162139547  -0.5655571112  -1.1787732568
C   -5.1694604142  -1.2096647689  -1.7236185429
C    0.7771351193  -2.3043391225   0.9612832827
C    1.2124387407  -1.8024783024  -1.3517955208
C    2.8380500956   1.4876287644   0.6143067740
C    1.2842425081  -2.6661631056  -0.2736412588
C    3.2355283577   2.6887393226  -1.0277228735
H   -3.5781118548   1.9347419220   0.4452282191
H   -2.5059303072   1.9727096335  -2.1480983752
H   -2.1975174561   3.2545560002  -0.9638376409
H   -3.4885530119  -0.6027314049   0.3895021906
H   -2.5835043350  -0.5062973172  -1.1111362051
H    0.5836115042   1.8236058377   1.9732865834
H    0.0442655494   3.1720012784   0.9802429371
H   -4.4944155149   0.7817348931  -2.1473776668
H   -5.3798928575   0.6391683948  -0.6462996449
H    0.5676072352   0.1022902470  -2.0266379386
H   -6.1149503680  -1.1036595979  -2.2572559247
H   -4.4688018898  -1.7119571356  -2.3934112253
H   -5.3445882604  -1.8727530662  -0.8741099982
H    0.8382233647  -2.9799572778   1.8032838357
H    1.6146561381  -2.0809422254  -2.3158166609
H    2.8777840811   0.7887749480   1.4357385221
H    3.7544314270   3.1601682838  -1.8480335075
*