! 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  -0.1530815189   1.1428723434   0.9720249159
Cl   4.1667216965   2.3849302804   1.6842480229
Cl  -3.2180811162   4.4390948788  -1.9570822438
S    0.4378898776  -3.0193975995  -0.5146184272
N   -1.8891714514  -2.6012578819   1.2246569555
N   -0.3232580160  -0.6710272392  -1.3911414066
N   -1.3454135556  -2.0792315070   2.3247149055
N   -1.9445334921  -4.2086650390   2.6751020499
C   -1.9848081894  -1.8369675537   0.0137641437
C    1.9362117752  -2.3401741299  -1.2875886224
C   -0.6526405482  -1.6603321030  -0.6829840200
C    2.5016545477  -1.1657262498  -0.5450400061
C    2.6725236968   0.0566023943  -1.1838096998
C    2.8640780456  -1.2745816457   0.7931321865
C   -1.0674372666   0.4953106697  -1.4860825841
C    3.1915952537   1.1509873490  -0.5100530093
C    3.3801310804  -0.1907283485   1.4842772532
C   -2.2376756075  -3.8733536500   1.4448847847
C   -1.0336526998   1.4619951403  -0.4761338930
C   -1.7793101984   0.7885686400  -2.6474938680
C    3.5352249435   1.0177672854   0.8239587009
C   -1.6911990551   2.6738235648  -0.6142352395
C   -2.4464430031   1.9907341822  -2.7991891101
C   -2.3961813627   2.9264353985  -1.7782831424
C   -1.4011882310  -3.0759527765   3.1671413910
H   -2.4329160785  -0.8696644488   0.2346496500
H   -2.6592631978  -2.3569240064  -0.6684891515
H    1.7226111548  -2.0933457835  -2.3266538952
H    2.6322245025  -3.1817339797  -1.2881866500
H    2.3881901644   0.1664536885  -2.2223161370
H    2.7356312653  -2.2143366571   1.3162710433
H    3.3109395601   2.0973024704  -1.0201487011
H    3.6546075786  -0.2903053226   2.5256903853
H   -2.6971290716  -4.4957923535   0.6931978780
H   -1.8007066443   0.0584137059  -3.4458270893
H   -1.6510792928   3.4065983050   0.1799209016
H   -2.9952339312   2.1928166343  -3.7084859162
H   -1.0419867618  -2.9853097616   4.1804278287
*