! 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   0.4660234948   0.6106758264   1.3729093981
Cl   4.2595693080   2.8579010452   0.8493627976
Cl  -3.5936598529   3.5676164621  -0.5129867077
S    1.3515511235  -3.2840607392  -0.4540673500
N   -2.1476235804  -2.1298068711   0.9619061051
N   -0.1435278817  -1.1953592408  -0.9601063871
N   -2.9714482984  -2.5832964863   0.0141553347
N   -3.9924371385  -1.0314279141   1.2739550990
C   -0.7850612586  -2.5716903476   1.0295597878
C    2.3948260023  -2.3113274768  -1.5808856294
C    0.0206276657  -2.1779902974  -0.1877277459
C    2.8697322220  -1.0235631879  -0.9769305977
C    2.5614580660   0.1920272550  -1.5759792731
C    3.6239383843  -1.0194989448   0.1919904337
C   -1.0067998706  -0.1300612391  -0.7760423616
C    2.9916968747   1.3903562916  -1.0270838400
C    4.0583938028   0.1677076430   0.7577028927
C   -2.7648585427  -1.1993000227   1.6937428408
C   -0.7991423636   0.8331200740   0.2161664180
C   -2.0363269475   0.0960954064  -1.6899390114
C    3.7329303098   1.3656921598   0.1411938808
C   -1.5860986703   1.9697439666   0.3044956275
C   -2.8408305166   1.2166147944  -1.6091482275
C   -2.6057976628   2.1503440025  -0.6126583426
C   -4.0579709807  -1.8933109733   0.2399389714
H   -0.7648888825  -3.6555789263   1.1540857662
H   -0.3197354585  -2.1473719506   1.9203019240
H    1.8551837000  -2.1432625607  -2.5111151106
H    3.2297234933  -2.9782496437  -1.8039010055
H    1.9705514243   0.2112810736  -2.4821426943
H    3.8735681674  -1.9536479962   0.6798773917
H    2.7375171970   2.3284619719  -1.5010700452
H    4.6419911210   0.1559368633   1.6680108143
H   -2.2946764389  -0.6981973813   2.5253729503
H   -2.2028634625  -0.6248675218  -2.4783516890
H   -1.4032287547   2.6978887825   1.0824548798
H   -3.6369438211   1.3615029247  -2.3259812177
H   -4.9440679154  -2.0235062085  -0.3606518596
*