! 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  -2.2642131036  -1.5302556800  -2.6105756491
Cl   4.6439112798   2.6843042239   2.0223763225
Cl  -4.2685345837   3.1311340065  -0.8617314595
S    1.5540311148  -2.9733297466  -0.4731786216
N   -1.6126361085  -1.6680315710   1.3500176955
N    0.1173370674  -0.8207254219  -0.8981534682
N   -2.8850097911  -1.3015144823   1.1731689670
N   -1.9540291670  -0.1367361580   2.8510290625
C   -0.9524186401  -2.6085584421   0.4816716526
C    2.7086621228  -1.8903903117  -1.3628323500
C    0.1386949718  -1.9554049561  -0.3461478503
C    3.1913619894  -0.7468548175  -0.5213743556
C    3.9279785100  -0.9823716255   0.6361729775
C    2.9191188316   0.5677709206  -0.8821008827
C   -0.9536788339   0.0624167122  -0.8612899707
C    4.3795767185   0.0646462860   1.4227706750
C    3.3665757487   1.6294808173  -0.1090505477
C   -1.0714315091  -0.9604220072   2.3443032081
C   -2.0996830131  -0.1104801495  -1.6375393520
C   -0.8484836673   1.2328212958  -0.1105323023
C    4.0897983009   1.3662019554   1.0419930660
C   -3.1165500120   0.8295121034  -1.6540477961
C   -1.8629508023   2.1716673488  -0.0927921163
C   -2.9929826675   1.9604431999  -0.8672171369
C   -3.0393313625  -0.3836242440   2.0901062397
H   -1.7021378928  -3.0443611286  -0.1788947007
H   -0.5421068500  -3.4239716972   1.0786509163
H    2.2400625364  -1.5489399825  -2.2843875564
H    3.5318109427  -2.5523768710  -1.6383127269
H    4.1526748724  -1.9976096335   0.9394739903
H    2.3491387845   0.7749889152  -1.7774442609
H    4.9495882199  -0.1349467961   2.3197898352
H    3.1464131823   2.6463288956  -0.4038057104
H   -0.0488569014  -1.0839601733   2.6663685865
H    0.0451991234   1.3965043706   0.4774839364
H   -3.9954561527   0.6696693834  -2.2630582625
H   -1.7641671086   3.0608684053   0.5142537705
H   -3.9811015502   0.1237982085   2.2257380129
*