! 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   0.5324575668   0.1646282031  -2.9526810917
Cl   3.7568729617  -2.5933286898   0.3057163822
O   -1.1144290167   1.9670504884   0.7242704308
N   -2.4157535198  -0.6429211980   0.3427112725
N   -2.9801324300  -1.5601360975   2.2647575308
C   -0.9004342675   1.1739502605  -0.4115331973
C   -2.1758557919   0.3654669866  -0.6602163715
C    0.2954550537   0.2598409613  -0.2470324307
C    0.9898110096  -0.2624358948  -1.3330176424
C    0.7050147583  -0.1414114949   1.0212691526
C   -2.0417553052  -1.9567992340   0.2717949977
C   -2.9657741000  -0.4570858513   1.5641769906
C   -0.1948814509   3.0383101035   0.8919561866
C    2.0530516387  -1.1389954210  -1.1822308069
C    1.7638202257  -1.0124806749   1.2072180924
C    2.4303756034  -1.5046117775   0.0978514646
C   -2.4030171135  -2.5061539336   1.4660706542
C   -0.5419756134   4.2255483146   0.0492403787
C   -0.7877471213   5.4314755068   0.5444518003
H   -0.7625802670   1.7981201902  -1.3033732251
H   -3.0279606153   1.0444464383  -0.7018667363
H   -2.1113112729  -0.1235478665  -1.6308601278
H    0.1875889258   0.2374780833   1.8924268820
H   -1.5707708522  -2.3757037341  -0.6023162182
H   -3.3504905140   0.4999557154   1.8809503303
H   -0.2189033113   3.3056309005   1.9499090770
H    0.8279939291   2.7090250164   0.6696443873
H    2.5740356684  -1.5251082744  -2.0472523701
H    2.0596038672  -1.3027956340   2.2057478674
H   -2.2815868152  -3.5293509576   1.7871801541
H   -0.5630451587   4.0823190310  -1.0275977849
H   -1.0066788032   6.2734605055  -0.1001785195
H   -0.7711604404   5.6288618325   1.6103965829
*