! 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   -1.1943786048   0.9926886519  -1.5558308357
O   -3.3419064381  -0.2172574074   1.2871838665
N   -1.9479129295  -0.1186022584  -0.5241627024
C    1.9538482846  -2.0415518751   0.7187643670
C    0.8337778970  -1.5361091449  -0.1815519203
C    3.3529821077  -1.6953595284   0.2138875735
C   -0.5391288094  -2.0242251176   0.2601890563
C    3.6130984630  -0.2096130241  -0.0227222864
C   -1.6846929002  -1.5467237579  -0.6196904892
C    3.4178826084   0.6675139325   1.2075914781
C    3.7831100934   2.1213474811   0.9486825532
C   -2.7384115834   0.4432430184   0.4432710180
C   -2.7266473863   1.8864087894   0.2780053778
C   -1.9488192743   2.2931623293  -0.7385130465
H    1.8777858015  -3.1292942274   0.8126086685
H    1.8089011041  -1.6459769380   1.7289727818
H    1.0172868878  -1.8601242685  -1.2122744250
H    0.8527767706  -0.4428052989  -0.1983776802
H    3.5345637814  -2.2355566939  -0.7204487963
H    4.0890036196  -2.0758051538   0.9289590858
H   -0.7320344040  -1.7305791638   1.2958701702
H   -0.5573648994  -3.1175877513   0.2428144452
H    2.9744182352   0.1584187431  -0.8325877485
H    4.6400902586  -0.0910430075  -0.3828229199
H   -2.6084745515  -2.0574176195  -0.3496950149
H   -1.4946625878  -1.7907321306  -1.6662910617
H    2.3788804585   0.6139536588   1.5458098593
H    4.0241022938   0.2778402827   2.0315851434
H    3.6350198176   2.7380120704   1.8362369239
H    4.8285182227   2.2211070563   0.6500268168
H    3.1730828744   2.5466814838   0.1491028408
H   -3.2906732184   2.5455337857   0.9200617801
H   -1.7661694747   3.3052291396  -1.0691431426
*