! 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   2.2772852780   1.2181912326  -2.0811499825
Cl  -7.2132487020  -0.4896449872   1.3566731202
O    3.2471966534  -1.3240204077   1.5152842319
O    4.0003149283  -0.0578931992  -0.1488893105
O   -2.1904732483  -0.9318967993  -1.6223626714
N    2.6076532357   2.2429765061   1.0501177262
N    1.3498427363   2.6624849348   0.8963597178
N    2.7815308133   4.1286351109  -0.0056894599
C    2.9407478073  -0.1977355455   0.7382641153
C    4.1087948858  -2.1811286126   0.7590774633
C    2.9169615309   0.9963899019   1.6969023659
C    4.3580289502  -1.3748170999  -0.5188587467
C    1.5928998094  -0.3910939029   0.0395144558
C    3.4896575831  -3.5379039602   0.5193779083
C    1.2191503538   0.1993807264  -1.1650455746
C    0.6289574683  -1.1655583031   0.6847542671
C   -0.0490305683   0.0222827575  -1.7011312989
C   -0.6409804364  -1.3563307598   0.1749468276
C   -0.9749980034  -0.7532220855  -1.0288445992
C    3.4498207547   3.1242560840   0.5039981904
C    1.5029053088   3.7939464947   0.2588580304
C   -3.3278805473  -0.8217255483  -0.8736293184
C   -3.4672172701   0.1286125849   0.1298970660
C   -4.3806142288  -1.6668060827  -1.1926364954
C   -4.6652742278   0.2268759349   0.8192791817
C   -5.5819155966  -1.5614843388  -0.5103542854
C   -5.7151529732  -0.6179793219   0.4957974990
H    5.0357197048  -2.2963878445   1.3283924396
H    3.8946428918   1.0851338095   2.1718250332
H    2.1775820942   0.8264158357   2.4783981568
H    5.4003618013  -1.3809787387  -0.8346873587
H    3.7423647154  -1.7365780930  -1.3521487717
H    2.5649665167  -3.4675255334  -0.0553255718
H    3.2737960270  -4.0480446595   1.4585307085
H    4.1858411973  -4.1649716107  -0.0405492094
H    0.8786057046  -1.6456313861   1.6206744328
H   -0.3186645061   0.4901066851  -2.6387277502
H   -1.3495793198  -1.9744702057   0.7106939903
H    4.5208189393   2.9959967669   0.5099861458
H    0.6598541684   4.4059749005  -0.0222524831
H   -2.6580799946   0.8027842711   0.3804357934
H   -4.2664614032  -2.4034070723  -1.9773984798
H   -4.7731490124   0.9684013537   1.5990877090
H   -6.4016240984  -2.2203957565  -0.7622283873
*