! 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   0.2025755706   0.9593270575  -2.3388592166
Cl   2.8862432223   4.4398614572   0.6701347143
O   -1.3948609571  -0.6301810045  -0.3981317375
O   -0.4797277552  -1.1995064301   1.5707777505
N   -0.0095860069  -3.0786104201  -0.5085737842
N    0.1219486747  -4.0126143025   0.4366486094
N   -1.3687687978  -4.6614540810  -1.1028741392
C   -0.1823898418  -0.7589726852   0.2766380033
C   -2.4519352816  -0.5598088468   0.5538956687
C   -1.8806735300  -1.3719130448   1.7067102478
C    0.6782678249  -1.8178665635  -0.4297696697
C    0.5828014280   0.5613045466   0.3462623179
C   -2.8157744290   0.8684265036   0.9271054815
C   -3.2096495594   1.7229627147  -0.2663270260
C    0.7961591069   1.3767778816  -0.7641662078
C    1.1252564951   0.9839563074   1.5565615322
C    1.5001184198   2.5685909630  -0.6742648901
C    1.8329512456   2.1678636018   1.6752234311
C   -0.9083703973  -3.4745603547  -1.4141609587
C    2.0113633054   2.9547163585   0.5517769985
C   -0.7055393715  -4.9432734081   0.0368050736
H   -3.3167432934  -1.0533430829   0.1039545825
H   -2.1928658423  -1.0040212527   2.6854667552
H   -2.1465860658  -2.4309719664   1.6381808515
H    1.6053828382  -1.9670416522   0.1212911368
H    0.9420110420  -1.4989575554  -1.4365257719
H   -3.6527102801   0.8115009682   1.6289478424
H   -1.9929197847   1.3399139719   1.4733838434
H   -3.5026181209   2.7234358478   0.0530897013
H   -2.3893668435   1.8332297008  -0.9751073948
H   -4.0562647980   1.2911806190  -0.8038293989
H    0.9900662988   0.3785407680   2.4411472146
H    1.6451784744   3.1831867836  -1.5518777749
H    2.2349628056   2.4655253268   2.6336777410
H   -1.1823556419  -2.8811325104  -2.2718867075
H   -0.8330311903  -5.8642444389   0.5845026142
*