! 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   0.9888772033  -0.1538562778   2.0800550258
S    1.7583527255  -1.2690973688  -0.8706967264
O    2.3277889612  -1.4556504408  -2.1876933234
O    1.5013980843  -2.4249086032  -0.0362679275
O    1.0164201065   1.2938076339  -2.1397526606
O   -3.3647228320  -1.8441236164   1.0893318164
N    0.2756552276  -0.5277783588  -1.0041917284
N   -1.1303077886   1.2723155293  -1.4379289216
N   -3.2772708212   1.6470341936  -0.7696197398
N   -2.1983404117  -0.3506403646  -0.1665919259
N   -4.4083332500   0.0398264823   0.5263458371
C    2.7538083894  -0.0908717330  -0.0030108655
C    2.4215644426   0.3619636888   1.2716933639
C    3.9089913619   0.3656377856  -0.6232675562
C    3.2399168817   1.2736412114   1.9155997924
C    4.7324424861   1.2675506086   0.0282440097
C    0.1222873176   0.7083203183  -1.5694145899
C    4.3948049875   1.7209346677   1.2929672789
C   -2.2381807338   0.8313885138  -0.7656945151
C   -4.3427647139   1.2036038983  -0.1059233121
C   -3.3087821356  -0.6938031421   0.4627650470
C   -5.5494651316   2.0678772854  -0.1012160112
C   -2.2167566358  -2.6947607519   1.0804346295
H   -0.5198629091  -0.9166433648  -0.4792276320
H    4.1686196408   0.0233979513  -1.6137323060
H    2.9766358549   1.6327971855   2.9001190104
H    5.6305744866   1.6189471302  -0.4582374933
H    5.0287977878   2.4316333809   1.8044253481
H   -6.0869239225   1.9375957807  -1.0431605462
H   -6.2235358948   1.8053775437   0.7093355189
H   -5.2777859229   3.1187105324  -0.0273018809
H   -1.3685825133  -2.2241351643   1.5774883107
H   -1.9425743836  -2.9854380332   0.0669616914
H   -2.5036067241  -3.5803884720   1.6385725740
H   -1.2211782603   2.1832532136  -1.8699226962
*