! 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   -2.3824207677   0.4384769365   1.0686955346
O   -1.8528343787  -0.1037864943  -2.6210983406
N   -2.0312221639  -0.4086955751  -0.3544039744
C    1.1634824425   0.1079654380  -0.0133944932
C    0.9800285582  -1.3968442815  -0.1879595760
C    2.4698108510   0.6308795738  -0.6102293671
C   -0.2673821231  -1.9988292929   0.4561700952
C    3.7518667729   0.0691746203   0.0009271455
C   -1.5818313491  -1.7875766177  -0.2819986901
C    3.9067761858   0.3450972997   1.4915807412
C    5.2543743993  -0.1102392012   2.0319842292
C   -2.0990176586   0.3406260253  -1.5013941091
C   -2.4971951703   1.6936672427  -1.1503325334
C   -2.6714116120   1.8664375487   0.1694500975
H    1.1067795077   0.3587416779   1.0503961328
H    0.3444220336   0.6519182918  -0.4871382949
H    1.8436660609  -1.9055216864   0.2485442957
H    0.9958317715  -1.6477598197  -1.2542329961
H    2.4854497812   1.7208710385  -0.5132138673
H    2.4712045739   0.4261249469  -1.6856795218
H   -0.3551183614  -1.6581222051   1.4932020933
H   -0.1410458721  -3.0823940439   0.5163702837
H    4.6043618334   0.5060443116  -0.5289365370
H    3.8188229020  -1.0089491839  -0.1761839205
H   -2.3658882986  -2.3857096606   0.1863258257
H   -1.4962271966  -2.1359656574  -1.3104755698
H    3.7818997696   1.4169654747   1.6757956773
H    3.1093350289  -0.1529109176   2.0502992729
H    6.0767381940   0.3983949014   1.5250128175
H    5.3498503180   0.0940154496   3.0992896480
H    5.3965650861  -1.1834223876   1.8899202206
H   -2.6277691659   2.4663034096  -1.8925653603
H   -2.9651371230   2.7678628143   0.6868094832
*