! 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  -0.5585549428  -1.4036829669  -2.6768396273
Cl  -4.4778028594   0.9885163761   0.0915128644
O    0.5853047272  -2.8748048406   0.9354048237
N    1.5630898321  -2.1456460773   0.3294254713
N    3.6098039644   2.0548263757   1.8048353941
C    2.1378850552  -0.1617563733  -0.8484430443
C    1.1365564937  -1.0700552058  -0.1903452462
C   -0.2695003643  -0.6071358787  -0.1139198810
C    2.3770775124   1.0552668786   0.0047483293
C   -1.1201079122  -0.6792931401  -1.2099759902
C   -0.7596356812  -0.0410032639   1.0585913229
C    1.6143249613   2.2100378978  -0.1162259446
C    3.3594410969   1.0398007713   0.9901509341
C   -2.4171618914  -0.1939641376  -1.1640816994
C   -2.0502644247   0.4523012467   1.1349561868
C   -2.8657724876   0.3720394786   0.0172530932
C    1.8635736449   3.2769187241   0.7329073640
C    2.8710357898   3.1507811170   1.6756792529
C    1.1479651025  -4.0094914223   1.5653687703
H    3.0693098471  -0.7084963266  -0.9996874469
H    1.7739764933   0.1396283745  -1.8331698066
H   -0.1179043645   0.0243079122   1.9272410695
H    0.8375246062   2.2811108511  -0.8682023820
H    3.9767508294   0.1556051526   1.1190217985
H   -3.0617264431  -0.2604606747  -2.0296061848
H   -2.4111760689   0.8926941667   2.0538314337
H    1.2902739748   4.1914505948   0.6652438756
H    3.0939920590   3.9681996515   2.3522224185
H    0.3191713145  -4.5366230359   2.0351526293
H    1.8697421266  -3.7305467846   2.3368734963
H    1.6308918180  -4.6781333224   0.8487132758
*