! 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  -0.6795977065  -1.1564157168  -2.7193691131
Cl  -4.3077112347   1.1086670495   0.5117191256
O    0.5923757602  -3.0679793815   0.6343366382
N    1.5712022951  -2.3124979212   0.0642743569
N    1.7342236453   3.2255781467   0.4858839771
C    2.1691237120  -0.2351216524  -0.9287951534
C    1.1677029384  -1.1696620580  -0.3103786414
C   -0.2100371164  -0.6604946132  -0.1067506832
C    2.3660330709   0.9758420218  -0.0577995718
C   -1.1200477442  -0.5718189464  -1.1521190814
C   -0.6055233946  -0.1999243776   1.1453458126
C    3.2376815426   0.9578029235   1.0240608070
C    1.6392214870   2.1418111883  -0.2724627578
C   -2.3841971259  -0.0311120532  -0.9786099627
C   -1.8611672848   0.3440724766   1.3497289482
C   -2.7382251422   0.4249920842   0.2795876843
C    3.3497712781   2.0851705756   1.8208803227
C    2.5749670905   3.1927677333   1.5120107828
C    1.1256047698  -4.3049738325   1.0663916474
H    3.1114693134  -0.7657137697  -1.0696535458
H    1.8208023507   0.0734984576  -1.9175960561
H    0.0857243288  -0.2567626656   1.9759333963
H    3.8238337403   0.0721221385   1.2396486757
H    0.9455824525   2.1997985499  -1.1063073793
H   -3.0757306597   0.0297304696  -1.8072783099
H   -2.1471654154   0.7007192634   2.3293573104
H    4.0239758509   2.1084911600   2.6661900178
H    2.6382040387   4.0906590868   2.1164902618
H    1.5142098911  -4.8956044755   0.2332646148
H    0.3003153628  -4.8465196489   1.5258475461
H    1.9155894208  -4.1710366351   1.8091753445
*