! 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   -1.3880430129   0.7042974404   1.1582298245
O   -2.0285314080   0.1535839812  -2.5123553480
N   -1.7638448494  -0.1518476350  -0.2542106284
C    1.9786110029  -2.2697471969  -0.2689451429
C    0.5853968525  -2.0277389686  -0.8458216784
C    2.4659341661  -1.1644171670   0.6680743863
C   -0.5280165086  -2.2531737935   0.1721064720
C    2.7815329234   0.1456979499  -0.0471775415
C   -1.8487298125  -1.6034972844  -0.2102750502
C    3.3506639719   1.2290156312   0.8651774096
C    2.3333866226   1.8119425178   1.8353221760
C   -1.8005699429   0.6099856376  -1.3935838221
C   -1.5382616200   1.9945272636  -1.0375824098
C   -1.3019672517   2.1658435141   0.2729164985
H    2.6956411722  -2.3755415257  -1.0888497643
H    1.9863432305  -3.2274665555   0.2609861052
H    0.4182664770  -2.6883142657  -1.7004831618
H    0.5372794638  -1.0113443601  -1.2466983435
H    3.3711942813  -1.5088859541   1.1778734142
H    1.7280490631  -0.9920439257   1.4578631178
H   -0.2254736354  -1.8970954935   1.1616852242
H   -0.7091211494  -3.3240692163   0.2909997576
H    1.8829320595   0.5372480251  -0.5364407894
H    3.4975302140  -0.0605315245  -0.8492847020
H   -2.6369138206  -1.8916517532   0.4873087454
H   -2.1687417315  -1.9246151542  -1.2008507859
H    4.2026567488   0.8249123135   1.4211977023
H    3.7515005990   2.0380667373   0.2487607396
H    2.7779338668   2.5937501643   2.4528298615
H    1.4956706560   2.2579846814   1.2954756913
H    1.9240182537   1.0584552918   2.5092601061
H   -1.5330233583   2.7873968066  -1.7696085395
H   -1.0895868152   3.0891108893   0.7917292537
*