! 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   0.7688974601  -1.4320965418   2.5105936760
Cl   4.4840371509  -1.5052077572  -1.3085464215
O   -1.9172083204   0.1824220310  -0.7447004541
O   -1.7837883343  -1.1953290366   1.0322306727
N   -0.4687940868   2.2204589924   0.6660636452
N    0.8233719132   2.4683875267   0.8958444937
N    0.0136077927   3.8886609143  -0.6338563990
C   -1.1504413001  -0.1304585852   0.3837162996
C   -2.9900156243  -0.7484254724  -0.8727497761
C   -3.1104900228  -1.2824768901   0.5438261145
C   -1.1373075137   1.1113351135   1.2958112402
C    0.2610376175  -0.5302119406  -0.0224306535
C   -4.2265272986  -0.0525582100  -1.3992272555
C   -5.3946183380  -1.0173891831  -1.5439158471
C    1.1793550548  -1.0916762230   0.8624351857
C    0.6998554452  -0.2751093415  -1.3171822076
C    2.4746341476  -1.3993069062   0.4759163990
C    1.9890499138  -0.5677837550  -1.7294748714
C   -0.9371862376   3.0699655155  -0.2533502906
C    2.8680178799  -1.1307128237  -0.8231080432
C    1.0681465379   3.4756325158   0.0980637345
H   -2.6952824044  -1.5530530612  -1.5589271201
H   -3.7987513110  -0.6776243086   1.1484554457
H   -3.4306492042  -2.3226303944   0.5932160321
H   -0.6268491413   0.9044284587   2.2331227025
H   -2.1634522825   1.3983757637   1.5304807380
H   -4.0014417248   0.3972486997  -2.3687733149
H   -4.4961888437   0.7646062606  -0.7242724560
H   -6.2579787345  -0.5164774655  -1.9816608365
H   -5.1422182383  -1.8589235788  -2.1915423596
H   -5.7116724499  -1.4240238237  -0.5815436293
H    0.0220163759   0.1677315485  -2.0324053391
H    3.1646538145  -1.8382080572   1.1830770020
H    2.2955749678  -0.3547345918  -2.7440117768
H   -1.9583387585   3.0606232144  -0.6000062796
H    2.0429202405   3.9360525334   0.0465238658
*