! 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   1.1587170797  -1.4943730630  -2.0986734463
Cl   4.9281929079   1.4369643941   0.2612938575
O   -0.9832967031  -1.7750978552  -0.1005376650
O   -1.4690824369  -0.0875508578   1.2905395146
N   -1.3587174010   1.7660723100  -0.9855568086
N   -2.0252740208   2.5277490860  -0.1161589307
N   -0.5665662984   3.7633693291  -1.2820552810
C   -0.8333443597  -0.3956706218   0.0908211803
C   -1.5708610874  -2.3626838082   1.0621563034
C   -1.4082652132  -1.2551464796   2.0929527209
C   -3.0143214175  -2.7571909313   0.7914931717
C   -1.5509595861   0.3423621543  -1.0505624183
C    0.6429577510  -0.0015142308   0.1380398760
C   -3.6135408625  -3.6115919224   1.9021788157
C    1.5809438386  -0.4256639488  -0.8018127582
C    1.0793936682   0.8938700547   1.1102578862
C   -5.0623962291  -3.9832551665   1.6253261160
C    2.8983653718   0.0066978164  -0.7689433078
C    2.3885210959   1.3404666681   1.1685648641
C   -0.4879728061   2.5147167139  -1.6690359077
C    3.2903356267   0.8888453226   0.2220538963
C   -1.5216370435   3.7152077589  -0.3318519782
H   -0.9840520386  -3.2461643973   1.3291720287
H   -2.2094680530  -1.2087325071   2.8300057975
H   -0.4525479138  -1.3281167957   2.6239509594
H   -3.0526307983  -3.3143523937  -0.1492551152
H   -3.6221232805  -1.8568474435   0.6480075268
H   -2.6179956216   0.1234206201  -1.0148076000
H   -1.1724167850  -0.0047922756  -2.0101228126
H   -3.5559291410  -3.0835250519   2.8587839580
H   -3.0177313373  -4.5213874896   2.0217494973
H    0.3780239739   1.2634068648   1.8451854735
H   -5.6952331494  -3.0959362988   1.5607307919
H   -5.1611640910  -4.5258795630   0.6829697512
H   -5.4681637741  -4.6187056878   2.4136829723
H    3.6038993661  -0.3384355588  -1.5118922063
H    2.6916441630   2.0360356593   1.9386249657
H    0.1634590963   2.1132652598  -2.4300514158
H   -1.8587035565   4.5835063130   0.2127829759
*