! 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   1.6857367015   2.3717513569   0.8060076936
Cl   5.4750316935  -1.1826870923  -0.3673555842
O   -1.1672971592  -0.9867758863  -0.1450031357
O   -0.7725112237   0.7821732675   1.1387600490
N   -2.1567912634   1.4957028652  -1.1914157898
N   -2.5282150256   2.6114145821  -0.5613918049
N   -4.3198282668   1.5169238440  -1.3393983455
C   -0.4097356532   0.1847097018  -0.0601627575
C   -1.5287516072  -1.4072561997   1.1731863599
C   -0.9816458954  -0.2762435119   2.0525104932
C   -3.0334175390  -1.5827989591   1.2657671885
C   -0.7817686341   1.0839839729  -1.2418509641
C    1.0850655244  -0.1358138826  -0.1129863006
C   -3.6109345569  -2.6303398808   0.3181280033
C    2.0728879824   0.7770538709   0.2555850036
C    1.5077855366  -1.3767202441  -0.5799220558
C   -3.1985862263  -4.0573964452   0.6536199535
C    3.4217220494   0.4622050119   0.1843386429
C    2.8473281504  -1.7160081168  -0.6659062267
C   -3.2342994876   0.8491070320  -1.6442682355
C    3.7959927214  -0.7879837980  -0.2755253497
C   -3.8299102426   2.5853321257  -0.6777669196
H   -1.0178573725  -2.3475618308   1.4021200139
H   -1.6856510551   0.0577098455   2.8149027542
H   -0.0483940190  -0.5639370508   2.5485116746
H   -3.5134898201  -0.6146533763   1.0908808749
H   -3.2703567723  -1.8606179816   2.2979957979
H   -0.6080118196   0.5351733252  -2.1671479962
H   -0.1603751758   1.9763798508  -1.2695348077
H   -3.3294925028  -2.3965788355  -0.7119930472
H   -4.7009525314  -2.5597659429   0.3515305313
H    0.7709401285  -2.1050794060  -0.8881366146
H   -3.6486283016  -4.7688846932  -0.0402931416
H   -2.1178228072  -4.2023473703   0.6021759514
H   -3.5190574337  -4.3352773309   1.6601530956
H    4.1663173674   1.1869508233   0.4835581441
H    3.1397787724  -2.6905831982  -1.0311627354
H   -3.1780494900  -0.0785111508  -2.1912904291
H   -4.4529977291   3.3691012844  -0.2753564102
*