! 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   0.6424250910   0.0560681526   3.0294479171
Cl   4.1482160677   2.6007988411  -0.0696046054
O   -1.8866726385  -0.0137513728  -0.6825676618
O   -1.9053455109   0.1410852744   1.5621290195
N   -0.2159420465  -2.3222099140  -0.5557689729
N   -0.8976568494  -2.7390826865  -1.6243220858
N    1.3053082563  -2.8840031993  -1.9969269729
C   -1.1397449192  -0.2715454807   0.4595135477
C   -3.2559966312   0.0708243740  -0.3077875181
C   -3.1430557469   0.6506291742   1.0904749569
C   -0.8867063384  -1.7888641061   0.6003650468
C    0.1740182521   0.4898360475   0.3658594035
C   -4.0161703264   0.9234335878  -1.2977866629
C   -4.0803587220   0.3177493645  -2.6912943408
C    1.0303439073   0.6599952965   1.4528209792
C    0.5967013682   0.9919147126  -0.8619635922
C    2.2489972145   1.3110441238   1.3292456721
C    1.8096605547   1.6414191435  -1.0137707038
C    1.0963472962  -2.4085417856  -0.7942113941
C    2.6279334126   1.7963874310   0.0905682756
C    0.0526018049  -3.0675035472  -2.4600447968
H   -3.6978243568  -0.9346599967  -0.2717737963
H   -3.1272545586   1.7465129921   1.0717059169
H   -3.9437304196   0.3239014300   1.7543621700
H   -1.8351910948  -2.3133358454   0.7149979840
H   -0.2880090034  -2.0035225050   1.4842521831
H   -5.0291614854   1.0552873799  -0.9076601832
H   -3.5653085572   1.9191760699  -1.3347307087
H   -4.6492608383   0.9586703797  -3.3654555085
H   -3.0871645175   0.1871657112  -3.1215290741
H   -4.5672595934  -0.6591177769  -2.6787302526
H   -0.0331363602   0.8734956179  -1.7317353886
H    2.8906784214   1.4331533154   2.1907047401
H    2.1066084603   2.0159013453  -1.9834111081
H    1.8473705253  -2.1293183191  -0.0713361458
H   -0.1637385952  -3.4636668118  -3.4401940206
*