! 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   1.1925233350  -1.4982165246  -2.0912737472
Cl   4.9448088685   1.4018507164   0.3364584804
O   -0.9782073079  -1.7600298304  -0.1286786487
O   -1.4807384489  -0.0667458054   1.2488829025
N   -1.3836289471   1.7798865264  -1.0060990664
N   -2.1319631048   2.5163631210  -0.1825545508
N   -0.6332365026   3.8017868353  -1.2392319357
C   -0.8304435583  -0.3800953067   0.0587519332
C   -1.5574779437  -2.3459094078   1.0395102358
C   -1.4146423221  -1.2269194466   2.0614283550
C   -2.9932259132  -2.7663705325   0.7693600740
C   -1.5360894337   0.3515079905  -1.0926982114
C    0.6463347368   0.0109486113   0.1261651392
C   -3.5842685725  -3.6096404931   1.8927687931
C    1.5996795147  -0.4272257503  -0.7913914391
C    1.0713468385   0.9091148062   1.1009703141
C   -5.0272040541  -4.0042359462   1.6187202280
C    2.9209425523  -0.0090808160  -0.7325302642
C    2.3834748154   1.3427017810   1.1847815815
C   -0.4901071964   2.5577254015  -1.6241387686
C    3.3010541558   0.8743850209   0.2618651354
C   -1.6493072651   3.7191606851  -0.3576930468
H   -0.9569983816  -3.2171768628   1.3163814714
H   -2.2217224151  -1.1815563083   2.7920288351
H   -0.4623891955  -1.2854799366   2.6003540468
H   -3.0190502611  -3.3403337947  -0.1617469367
H   -3.6132611327  -1.8776414141   0.6074677386
H   -2.5987419892   0.1086193298  -1.0807613310
H   -1.1300577002   0.0231845829  -2.0480810375
H   -3.5361313947  -3.0648761207   2.8405017686
H   -2.9771619520  -4.5095551111   2.0295587477
H    0.3594291368   1.2919255656   1.8187848117
H   -5.4328774527  -4.6160591411   2.4254768168
H   -5.6676141579  -3.1255927220   1.5195817814
H   -5.1143989154  -4.5793600110   0.6948588554
H    3.6389849142  -0.3682798404  -1.4565639278
H    2.6757069672   2.0408379873   1.9566029001
H    0.2219050633   2.1806562782  -2.3422290453
H   -2.0489537541   4.5733812735   0.1665303138
*