! 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   -2.8481948700   0.0800363721   0.8779479333
O   -0.6371628749   0.6595443960  -2.1179500096
N   -1.9068083767  -0.3201495947  -0.4741373754
C    1.5827501759  -1.6153198829  -0.3852530989
C    0.5407340551  -1.5906907085   0.7271491260
C    2.8481430332  -0.8256912275  -0.0617387583
C   -0.7436869890  -2.3389472130   0.3903938949
C    2.6104080207   0.6740804791   0.0952401931
C   -1.5707433435  -1.7113819614  -0.7263839046
C    3.8920856874   1.5004229232   0.1442065680
C    4.7864200356   1.1820302092   1.3343250870
C   -1.3618071412   0.7558461686  -1.1300429785
C   -1.8011911807   1.9754458891  -0.4715292482
C   -2.5841174506   1.7479093003   0.5940741896
H    1.1556823570  -1.2230425581  -1.3120607324
H    1.8506857468  -2.6563307862  -0.5904454020
H    0.2977961876  -0.5589937426   0.9991914923
H    0.9743398549  -2.0358360378   1.6275604212
H    3.5738100746  -0.9846315311  -0.8663216595
H    3.3087380916  -1.2323396673   0.8442335776
H   -1.3601771235  -2.4295032254   1.2895102161
H   -0.5147113720  -3.3632781470   0.0839718763
H    2.0279852927   0.8695660279   1.0011047066
H    1.9917965108   1.0220373343  -0.7387147543
H   -2.4903639613  -2.2793861430  -0.8759525974
H   -1.0372900478  -1.7307512098  -1.6746660881
H    4.4536331191   1.3521373712  -0.7835195272
H    3.6281065327   2.5609931245   0.1709949939
H    4.2505864833   1.3125759330   2.2770426456
H    5.1556528610   0.1558912435   1.3067554527
H    5.6585054873   1.8371005295   1.3604823872
H   -1.5124160330   2.9545538121  -0.8218470022
H   -3.0421839695   2.4759111056   1.2473542969
*