! 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  -0.3822191499  -0.0786342348   2.3217718783
Cl   4.0908735386   1.4332996708  -0.1680229811
N   -1.1790052067  -2.1330168912  -0.7318212505
N    0.0014036601  -2.4126241101  -1.2869039318
N   -0.3372858442  -3.6991286711   0.5130760841
C   -1.8216452950   0.2452768968  -0.4420949783
C   -2.6505758947   1.3547520464  -1.0973212882
C   -2.0091653679  -1.0586286666  -1.2290710827
C   -0.3553823436   0.5809600096  -0.3272408109
C   -2.5674675330   2.7102128243  -0.4035689629
C    0.3762853967   0.4436268058   0.8486875064
C    0.3518142081   0.9960832887  -1.4544588127
C   -3.0473694713   2.7023621855   1.0401725292
C    1.7385594721   0.7039090401   0.9136221670
C    1.7075050470   1.2642264864  -1.4275771586
C   -1.3662696882  -2.9034523951   0.3418110963
C    2.3924747077   1.1120793671  -0.2330238497
C    0.4695285402  -3.3555948636  -0.5097246161
H   -2.2258673415   0.0729761338   0.5564343734
H   -2.3560413161   1.4692496665  -2.1448085558
H   -3.6945034210   1.0254740594  -1.1168067014
H   -1.7607043914  -0.9247469061  -2.2814542809
H   -3.0520739475  -1.3720044863  -1.1758948181
H   -1.5423110952   3.0890423114  -0.4470484725
H   -3.1716394076   3.4180685329  -0.9772285129
H   -0.1713443223   1.1098613786  -2.3956514673
H   -2.4082691905   2.0994998505   1.6873640871
H   -4.0629501246   2.3084079012   1.1212447219
H   -3.0547325126   3.7121764299   1.4529975411
H    2.2751497756   0.5858465802   1.8446701197
H    2.2191234705   1.5821795290  -2.3252959014
H   -2.2535159363  -2.8554607420   0.9533480009
H    1.4269192888  -3.8191475130  -0.6912280234
*