! 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   2.0396246053  -0.4981795431   3.4268853786
Cl  -3.1857154103  -1.0094738686  -3.8931917899
Cl   2.9095173648  -4.8591669242   0.4190890338
S   -0.8273704162   2.6205198039   1.4913136084
N    1.5445772910   2.4478614981  -0.4228096251
N   -0.1557614273   0.0806602565   1.4363148234
N    1.8524796266   3.7455809308  -0.4621205847
N    1.0199431401   3.0706184484  -2.4348909819
C    1.6352739701   1.6681030984   0.7872404216
C   -2.4463961204   1.8023265689   1.3687993718
C    0.2557301151   1.2624223760   1.2582205228
C   -2.6445362751   1.1108830219   0.0521214750
C   -3.0199126414  -0.2266439822   0.0116772352
C   -2.4510984894   1.7859474400  -1.1497327914
C    0.6284351225  -1.0402364299   1.1869458568
C   -3.1990209965  -0.8851052582  -1.1967664000
C   -2.6143017951   1.1427115802  -2.3659033508
C    1.0360693047   2.0663076826  -1.5951507568
C    1.6434089199  -1.4603079377   2.0469586547
C    0.3401776939  -1.8374522210   0.0804071266
C   -2.9858742217  -0.1931844843  -2.3772014184
C    2.3471186476  -2.6331416887   1.8225757188
C    1.0390970513  -3.0037146659  -0.1695885047
C    2.0371304881  -3.3945910976   0.7095624618
C    1.5281737211   4.0676921072  -1.6867850702
H    2.1345398654   2.2750065797   1.5414394161
H    2.2560789898   0.7915487817   0.6056661220
H   -3.1581469752   2.6205184354   1.4980487398
H   -2.5812234249   1.1188331857   2.2049162086
H   -3.1702326830  -0.7734058581   0.9334256105
H   -2.1563726575   2.8277146428  -1.1459274973
H   -3.4869708236  -1.9275210959  -1.2099027126
H   -2.4543016638   1.6798268919  -3.2906817564
H    0.7165252627   1.0556340495  -1.7976299179
H   -0.4550938778  -1.5334012410  -0.5879039502
H    3.1275883133  -2.9384163990   2.5054884403
H    0.8000659224  -3.6008259247  -1.0383422967
H    1.6676756189   5.0698451720  -2.0596657679
*