! 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   3.7018757997  -0.6787744599   2.0295532654
Cl   3.4170122246  -2.1369082569  -0.4316292680
Cl   5.4248320714  -0.0894245223  -0.1926478518
Cl  -5.3799519231  -0.0223294351  -0.6878788898
Cl  -3.8483707656   1.2096501257   1.4068118390
Cl  -3.3119080646   1.8694553322  -1.3393952305
O    3.7665661006   2.8943120354  -1.5107699617
O   -3.7072542151  -3.2497998548  -0.8895888016
N    1.3938964210   0.1885101675  -0.2696734747
N   -1.3644420125  -0.2931641008  -0.3160754670
N    3.0689219815   1.7668266668   0.3418371404
N   -3.1199265376  -1.6222132318   0.5923917218
C   -0.6520968481  -0.0117370761  -1.5460102865
C    0.7885668794  -0.4722781372  -1.4077531659
C   -0.7690352597   0.3424630969   0.8387301032
C    0.6917765476  -0.0659657188   0.9688504469
C    2.7737661949   0.5125069481  -0.2980858115
C   -2.7441828054  -0.6168915053  -0.3660930994
C    3.7731233010  -0.5540681432   0.2607497332
C   -3.7644560410   0.5631637509  -0.2437817373
C    3.5202475845   2.8479362642  -0.3223346925
C   -3.5449170607  -2.8524363847   0.2465357208
H   -0.6578832024   1.0549817149  -1.8022273913
H   -1.1215062817  -0.5510246917  -2.3705419382
H   -0.8289486284   1.4381664428   0.7831962818
H   -1.2762282489   0.0355509816   1.7534144215
H    1.3351457068  -0.2104634409  -2.3151342955
H    0.8020690161  -1.5656122960  -1.3166136429
H    0.7413837038  -1.1240514696   1.2607299423
H    1.1218933935   0.5153342036   1.7846539758
H    3.0566225530   0.6177182222  -1.3474238511
H   -2.9383968409  -1.0344880964  -1.3559457532
H    2.8807707850   1.8792636520   1.3263773665
H   -3.0054530330  -1.4367598643   1.5773026358
H    3.6451757375   3.7113802921   0.3453130744
H   -3.7379465068  -3.4777906365   1.1289035798
*