! 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   -2.8527536491  -0.0266725259   0.7490972239
O   -0.3031986537   1.1303365830  -1.7753879421
N   -1.7298747812  -0.1548686469  -0.5146130904
C    1.5476006479  -1.4395113238   0.0444568326
C    0.3299932580  -1.8546680448   0.8592477645
C    2.7110781009  -0.9786368763   0.9154046636
C   -0.8246985380  -2.4088642489   0.0327308702
C    3.8637947954  -0.3683470287   0.1205973811
C   -1.3719229492  -1.4648784513  -1.0323169658
C    3.5449583542   0.9676082030  -0.5500858266
C    3.2399736487   2.0876923448   0.4354588143
C   -1.1368084557   1.0287215715  -0.8771771837
C   -1.6771646522   2.0943035209  -0.0486687268
C   -2.5885986348   1.6628923462   0.8379515496
H    1.2694151171  -0.6396759722  -0.6445414916
H    1.8752101576  -2.2764930617  -0.5831244137
H   -0.0148692499  -1.0002077000   1.4514528215
H    0.6218874379  -2.6173892062   1.5872855789
H    3.0842880408  -1.8305773204   1.4917140501
H    2.3495326968  -0.2584122002   1.6570161026
H   -1.6337399516  -2.7184708181   0.7011872685
H   -0.5096511894  -3.3179784341  -0.4866767541
H    4.1891069900  -1.0849732888  -0.6407898465
H    4.7229589491  -0.2279386066   0.7844796877
H   -2.2422573036  -1.9130625666  -1.5146446317
H   -0.6389163600  -1.2903530969  -1.8175449361
H    4.3991568100   1.2590298118  -1.1677561266
H    2.7032654188   0.8580338915  -1.2406188256
H    4.0612519200   2.2274973184   1.1432721123
H    3.0871763517   3.0372209971  -0.0799194445
H    2.3370646187   1.8901510099   1.0164028747
H   -1.3633076580   3.1217369223  -0.1564024818
H   -3.1409716292   2.2487094322   1.5588815104
*