! 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 "WATER"
end
*xyz 0 1
Cl   0.3211906331   1.2554438305   1.1560041898
Cl   4.5924707240   2.3825007850   0.8586156419
Cl  -2.8368079163   4.7675297277  -1.3824681028
S    0.2961277171  -2.9526768840  -0.0890621839
N   -2.2664869636  -2.7267616097   1.2677812971
N   -0.4962431336  -0.6386742605  -1.0406033438
N   -3.0881831731  -3.3582121138   0.4243654589
N   -2.5843581761  -4.6730539263   2.1735983266
C   -1.7248619664  -1.4324379678   0.9557709146
C    1.6750411575  -2.4631893430  -1.1699085373
C   -0.6984853685  -1.5121969046  -0.1510990986
C    2.4193607891  -1.2624282645  -0.6676800719
C    2.5094939556  -0.1133370317  -1.4443747695
C    3.0274328004  -1.2714793776   0.5835183186
C   -1.1069417705   0.6059645094  -1.0530587058
C    3.1842331807   1.0087176909  -0.9886480038
C    3.7023442944  -0.1584314226   1.0576238068
C   -1.9667246110  -3.5259670604   2.2940135555
C   -0.7843247896   1.6010041666  -0.1251907298
C   -1.9779809450   0.9433365104  -2.0890207117
C    3.7691515584   0.9767319976   0.2650697246
C   -1.3106312961   2.8799922428  -0.2196308363
C   -2.5221066713   2.2098652443  -2.1925374435
C   -2.1797550011   3.1722665509  -1.2553861144
C   -3.2499963772  -4.5125962730   1.0134824679
H   -1.2520997842  -1.0401837148   1.8566636392
H   -2.5352707121  -0.7576502715   0.6820071450
H    1.3036816818  -2.3121485095  -2.1818846764
H    2.3133471923  -3.3487178459  -1.1858607399
H    2.0408511413  -0.0842638262  -2.4189363089
H    2.9698517125  -2.1539333438   1.2089898794
H    3.2377797786   1.8975537068  -1.6022445925
H    4.1673235712  -0.1785328666   2.0337468492
H   -1.3127965874  -3.2258542203   3.0974982276
H   -2.2272843134   0.1935595835  -2.8276801168
H   -1.0393588960   3.6334119787   0.5067427497
H   -3.1996248579   2.4411642480  -3.0022931552
H   -3.8829890976  -5.2763514762   0.5903252595
*