! 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
S   -0.9828124477   0.7725976457  -1.4931805977
O   -3.0824867748  -0.4397374820   1.3826466262
N   -1.9141358960  -0.3048453378  -0.5780463817
C    1.0193834389  -1.1671967673   0.6577283450
C    0.5069506801  -2.1737900578  -0.3696920808
C    2.3630827145  -0.5609750429   0.2794676123
C   -0.9537405866  -2.5866088477  -0.1778021812
C    2.8900006661   0.4043431003   1.3338671175
C   -1.9661690686  -1.7196759428  -0.9148474275
C    4.1987933760   1.0940344159   0.9604007649
C    4.0762214641   2.0456188736  -0.2215654968
C   -2.4127812513   0.2162753415   0.5867155277
C   -2.0192634656   1.6112737226   0.6819522765
C   -1.2591848309   2.0146630028  -0.3500637677
H    1.0958489310  -1.6644219679   1.6304330716
H    0.3035792772  -0.3531295123   0.8009059059
H    1.1386798390  -3.0642769315  -0.3165522147
H    0.6491277589  -1.7798476800  -1.3825602887
H    2.2501926640  -0.0457343148  -0.6793947024
H    3.0976113972  -1.3571446260   0.1142754113
H   -1.1996559294  -2.6180178635   0.8868084704
H   -1.1061936136  -3.6014630506  -0.5525611641
H    3.0270413906  -0.1403549734   2.2732152865
H    2.1293137029   1.1671658994   1.5360490132
H   -2.9794847611  -2.0661812084  -0.7123846413
H   -1.8210128020  -1.8090292861  -1.9923146020
H    4.5632466472   1.6519471603   1.8270534694
H    4.9613291540   0.3386780720   0.7463174565
H    3.3152329118   2.8065420294  -0.0355959185
H    5.0172439321   2.5636319534  -0.4114942782
H    3.8024034768   1.5280251345  -1.1417270633
H   -2.3125337075   2.2396985390   1.5088368903
H   -0.8432270181   2.9966294299  -0.5214088770
*