! 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  -1.0944385694   2.4121297359  -1.4553860579
Cl  -5.3949926868  -0.5732402398  -0.3271228499
O    2.7594788767   1.5916641194   1.8647580113
N    1.2651030240  -1.4064412598   0.4575130570
N    0.6209229836  -1.8726420889  -0.6189943977
N    1.3922823055  -3.5682556276   0.6240417213
C    3.6515542411   0.7993310407  -0.2054649734
C    2.8000116578   0.4570599438   1.0442604856
C    3.7272510514  -0.4088260277  -1.1397515072
C    5.0686970657   1.1388971156   0.2644160935
C    3.0731374629   1.9870016428  -0.9724151786
C    1.3967524828  -0.0211027567   0.7157278638
C    0.3504858103   0.7995530122   0.6388831964
C   -1.0458702505   0.4318521443   0.3872434453
C    1.7208137227  -2.4357719741   1.1896257766
C   -1.8164803174   1.1348746139  -0.5373077130
C   -1.6783993224  -0.5905003558   1.0942509354
C    0.7246961368  -3.1667338942  -0.4786046641
C   -3.1497326044   0.8387528340  -0.7699621821
C   -3.0073472424  -0.9097567097   0.8858840836
C   -3.7323816680  -0.1898442413  -0.0507003012
H    3.3221969707  -0.3666805986   1.5556263268
H    4.4265206964  -0.2026806278  -1.9523925483
H    4.0871789952  -1.3049599060  -0.6281075260
H    2.7681880767  -0.6447778328  -1.6023978122
H    5.5101439222   0.3169881049   0.8347075948
H    5.0965776492   2.0321320691   0.8881006822
H    5.7168627075   1.3207051437  -0.5957059990
H    3.0240063694   2.8908845159  -0.3647202482
H    2.0720672053   1.7827328551  -1.3560958010
H    3.7054114612   2.2113441744  -1.8342876879
H    0.5554800423   1.8546579338   0.7763456006
H    2.3397804426   1.3559522239   2.6993680858
H    2.2591903707  -2.3125095295   2.1160690291
H   -1.1256228789  -1.1397550629   1.8447944129
H    0.3092508939  -3.8514492783  -1.2015399843
H   -3.7178065460   1.3981247618  -1.5000735409
H   -3.4701526750  -1.7047553983   1.4537307859
*