! 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   -1.7238729275   0.3944106771   1.2238717497
O   -1.1096437683   0.4473181228  -2.4916485193
N   -1.5463535962  -0.2257130613  -0.3430768122
C    1.4990309021  -1.5266641918  -0.5043013306
C    0.5715433008  -2.7381380791  -0.5441875790
C    1.9131535579  -1.1065737734   0.9014476778
C   -0.8019302958  -2.5879265791   0.1059232359
C    2.8884229941   0.0672949578   0.9307459816
C   -1.7730372445  -1.6414259849  -0.5901170007
C    2.2646724558   1.4001313343   0.5344646776
C    3.2547509794   2.5532704264   0.5888411056
C   -1.2624367124   0.7126061185  -1.3003631936
C   -1.1877646932   2.0190226693  -0.6681051537
C   -1.4090795338   1.9775899425   0.6545779973
H    1.0494576776  -0.6894830831  -1.0412822074
H    2.4032588546  -1.7797658776  -1.0670100305
H    1.0794236404  -3.5770386971  -0.0583415915
H    0.4264197777  -3.0407739743  -1.5856549266
H    2.3711641019  -1.9671277859   1.3996569639
H    1.0321985420  -0.8465873137   1.4969970516
H   -0.7095400861  -2.3250756299   1.1640736317
H   -1.2837112002  -3.5683249265   0.0974380251
H    3.7397888663  -0.1478331157   0.2751282264
H    3.3024711438   0.1624794017   1.9395453417
H   -2.7950298986  -1.8798607851  -0.2892708041
H   -1.7260293976  -1.7765374672  -1.6702483547
H    1.8419205827   1.3370264632  -0.4719624929
H    1.4208704188   1.6093393665   1.1987829746
H    2.7840874689   3.4988634605   0.3162001197
H    3.6730000862   2.6714721812   1.5903538028
H    4.0888048536   2.3928373516  -0.0971425307
H   -0.9655015689   2.9165115884  -1.2244349044
H   -1.4018851991   2.8008510036   1.3534605960
*