! 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   2.8046075203  -2.5946911131   1.5045294887
Cl   0.1150774341  -0.0419713989  -2.3995721083
Cl   5.0134670082   1.5990060782  -0.9810385836
O    0.4366198626  -1.9889799042  -0.2770113855
O   -1.9141589356   0.0692136178   2.4862035630
N   -2.1832950363  -0.6810540239   0.3629473515
N   -2.4832454182   1.5891366327   0.9022536410
N   -3.2709936938   3.6369236362   1.0829359667
C   -2.9911668274  -0.6283726979  -0.8563291226
C   -1.7284368963  -2.0054365226   0.7714646672
C   -4.3886370002  -1.2102148092  -0.6788985856
C   -0.2339173518  -2.1057474363   0.9853697686
C   -2.1792998005   0.2658612305   1.3176468939
C   -5.2647881721  -0.4455842353   0.3002183728
C    1.4965039599  -1.1793057389  -0.3913637217
C   -1.9837062968   2.2948614922  -0.1697555652
C   -3.2374876173   2.4598531883   1.6302955980
C    2.6603474857  -1.3040956099   0.3701014540
C    1.4893850106  -0.1851435414  -1.3718414014
C   -2.4821615127   3.5507520675  -0.0346443179
C    3.7404869187  -0.4526113063   0.2053934049
C    2.5601447684   0.6672791127  -1.5718029016
C    3.6739981571   0.5331419829  -0.7621612418
H   -3.0698932518   0.3947120193  -1.2153453098
H   -2.4544256010  -1.1828693753  -1.6247900839
H   -2.0252032079  -2.7149074382  -0.0000288532
H   -2.2229200172  -2.3256753462   1.6911711747
H   -4.3250459743  -2.2603354704  -0.3802114399
H   -4.8556252480  -1.2075935119  -1.6670138328
H    0.1188832438  -1.3476886255   1.6859001006
H   -0.0228463679  -3.0860260041   1.4149502235
H   -4.8911303990  -0.4990587297   1.3243127658
H   -5.3525662344   0.6071801617   0.0252561562
H   -6.2731146013  -0.8607619077   0.3154935343
H   -1.3111494279   1.8648442288  -0.8919880999
H   -3.7486337886   2.1623816292   2.5327188421
H   -2.3098991017   4.3992397961  -0.6779695529
H    4.6238875657  -0.5721065748   0.8169788444
H    2.5170288912   1.4263549082  -2.3402025023
*