! 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   0.9226152601   0.3063847085  -2.7928048253
Cl   3.7737846222  -2.4730683890   0.7778677291
O   -1.2152381757   1.9765047447   0.6761974617
N   -2.4155161955  -0.6434207845   0.1414452423
N   -2.4500484701  -2.6041119393   1.1486374262
C   -0.8565819208   1.1978032280  -0.4352910441
C   -2.0741191367   0.3622028985  -0.8335719520
C    0.3300912579   0.3054801765  -0.1403608473
C    1.1768458727  -0.1607215834  -1.1406758534
C    0.5773053404  -0.1327243434   1.1577237457
C   -3.0498358103  -0.4529175486   1.3383539876
C   -2.0698762087  -1.9496933595   0.0848174948
C   -0.3457970218   3.0538638475   0.9433491946
C    2.2381254743  -1.0124440362  -0.8763787213
C    1.6268419733  -0.9842312303   1.4551366879
C    2.4522937743  -1.4149641700   0.4300207954
C   -3.0636118019  -1.6764763282   1.9419753730
C   -0.5846836999   4.2646475576   0.0977468452
C   -1.5969340625   4.4592950269  -0.7369379575
H   -0.6277762715   1.8397973865  -1.2946725810
H   -2.9301529144   1.0184639782  -0.9942042388
H   -1.8728393810  -0.1360047324  -1.7813503712
H   -0.0642072334   0.2000278007   1.9629585338
H   -3.4365625915   0.5042641762   1.6442223403
H   -1.5489820806  -2.3657159170  -0.7647674545
H   -0.4850659755   3.3183535470   1.9960982930
H    0.7068268623   2.7547761643   0.8518946243
H    2.8826316304  -1.3516384492  -1.6753315468
H    1.7937150589  -1.3065273363   2.4735821694
H   -3.4884857791  -1.9370514648   2.8992830878
H    0.1635679109   5.0423081421   0.2216292193
H   -1.6800266664   5.3805372782  -1.2990194637
H   -2.3795027763   3.7275897720  -0.8967803405
*