! 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  -0.4559580441  -2.2098564314  -2.0813350160
Cl  -4.4009213595  -1.0979815809   1.3671210926
O    3.5044719153  -0.8875665540   0.2244998472
N    2.2142945033  -1.1652619410   0.5480301832
N    2.0949975790   3.7352380361   0.2891506741
C    1.6374819611   0.3667250905  -1.3243067342
C    1.3593819864  -0.6009288962  -0.2023874775
C   -0.0561562039  -0.7973389873   0.1919516409
C    1.3339667806   1.7597065849  -0.8394558789
C   -0.9792939392  -1.4555916905  -0.6145768139
C   -0.5144010915  -0.2543768512   1.3888114422
C    0.0587275194   2.3039497353  -0.9334855291
C    2.3112368641   2.5275010515  -0.2137225528
C   -2.3164383956  -1.5574970736  -0.2667001101
C   -1.8428605251  -0.3441071595   1.7669004054
C   -2.7338081473  -0.9894232408   0.9256828166
C   -0.1800390955   3.5632552031  -0.4087666910
C    0.8696421288   4.2373751839   0.1945726748
C    4.3796262568  -1.6093907069   1.0706252217
H    2.6693320760   0.2916874117  -1.6630761405
H    1.0030940288   0.1296759159  -2.1795066489
H    0.1827466489   0.2631517268   2.0341498722
H   -0.7407186531   1.7529121468  -1.4142938514
H    3.3209232254   2.1395413965  -0.1189240607
H   -3.0142275158  -2.0754334138  -0.9097501675
H   -2.1736019662   0.0925414292   2.6986975963
H   -1.1608386521   4.0153162171  -0.4644994498
H    0.7132648762   5.2230731099   0.6180782948
H    4.2548687406  -2.6886161092   0.9567407493
H    4.2414626304  -1.3413455163   2.1205806435
H    5.3887556113  -1.3369713757   0.7666203741
*