! 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  -0.1680666559  -1.9495018989   1.5627081879
Cl  -5.3168399651  -0.9453480994   0.4582313999
O    0.6614018401  -1.4115258857  -1.6216526353
N    1.2687783408  -0.3475020298  -1.0298776556
N    4.1944846961   2.9540063523  -0.9913363036
C    1.0102629569   1.5403329840   0.4156798810
C    0.4818154926   0.3360141328  -0.3089123361
C   -0.9519208146   0.0110906408  -0.1185954030
C    2.4722522329   1.7848553072   0.2011085291
C   -1.3564505046  -1.0233559109   0.7179615782
C   -1.9332164003   0.7518410864  -0.7662465483
C    3.4387908486   1.0835558059   0.9111261764
C    2.9153365127   2.7068018856  -0.7384883255
C   -2.6942569512  -1.3261018563   0.9082946913
C   -3.2789879712   0.4683262015  -0.6002190172
C   -3.6438190505  -0.5728486391   0.2368585273
C    4.7770314039   1.3326146176   0.6589614285
C    5.1040579108   2.2755904701  -0.3040737728
C    1.6184114032  -2.1871136809  -2.3152017601
H    0.4266494138   2.4140618795   0.1086336794
H    0.7980239344   1.4123518455   1.4821578997
H   -1.6434790317   1.5625764667  -1.4224213751
H    3.1480256542   0.3519604646   1.6558497476
H    2.1929376170   3.2781307365  -1.3140660166
H   -2.9881897017  -2.1333909662   1.5645440450
H   -4.0265029748   1.0515944221  -1.1193623142
H    5.5556030838   0.8072847363   1.1951748509
H    6.1430329399   2.4907767969  -0.5279058560
H    2.1165828342  -1.6140368484  -3.1010481074
H    1.0695382683  -3.0083563699  -2.7730746643
H    2.3732174610  -2.6007074899  -1.6419380352
*