! 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  -0.4498684807   1.0310217141  -2.4016176196
Cl   3.6844123796   2.6119544680   0.5644000061
O   -2.4310767006  -0.0010011536  -0.4419725164
O   -1.7227500257  -1.1803024172   1.3211639206
N    0.1284108951  -2.6135764802  -0.4975265830
N    1.2655973013  -2.3426793640  -1.1422937639
N    1.6422783596  -3.7656407200   0.5438607268
C   -1.3407524317  -0.7177934526   0.0603235883
C   -3.3344336579   0.3082208680   0.6206039651
C   -2.6027315887  -0.2063718211   1.8555854035
C   -1.0971616252  -1.9390786136  -0.8372664135
C   -0.0915713406   0.1567308651   0.1639362046
C   -3.6949899726   1.7835307079   0.6440862949
C   -2.5200303796   2.7501578153   0.6655420712
C    0.3756421097   0.9488590736  -0.8817171417
C    0.6661740834   0.1360026513   1.3301745032
C    1.5300650595   1.7073366626  -0.7683697103
C    1.8233061489   0.8827029486   1.4736639020
C    0.3688370219  -3.4568400920   0.5112851824
C    2.2441041275   1.6675317782   0.4162116781
C    2.1441007067  -3.0557839422  -0.4869825887
H   -4.2499570283  -0.2734287458   0.4667046226
H   -2.0518306319   0.5831696413   2.3790306697
H   -3.2668591547  -0.6900281885   2.5705306860
H   -1.0347097252  -1.6422432740  -1.8811559602
H   -1.9340895101  -2.6304167825  -0.7339263738
H   -4.3243779317   2.0026280563  -0.2219467448
H   -4.3313928592   1.9426670565   1.5198977965
H   -1.8294096492   2.5610958945   1.4885908985
H   -1.9509237907   2.7095268445  -0.2622908206
H   -2.8802575254   3.7729635321   0.7815367536
H    0.3517892634  -0.4812444474   2.1600093821
H    1.8676244117   2.3149269250  -1.5966023465
H    2.3832242262   0.8444873285   2.3976583083
H   -0.4008181514  -3.8196615160   1.1740773112
H    3.1865854566  -3.0700683535  -0.7652124855
*