! 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   -2.2283607132   0.1258980183  -1.8568218506
O   -3.1860962392   0.4602332460   1.7666623122
N   -2.3896510545  -0.3189411448  -0.2305405553
C    2.0392855250  -0.8809373641   0.4885078751
C    0.6504771283  -0.9804424639  -0.1310680953
C    3.1048524031  -0.4984300206  -0.5323938714
C   -0.4195962541  -1.3791096379   0.8758774102
C    4.5208743624  -0.4150516533   0.0296499627
C   -1.8087424221  -1.5521204572   0.2795387158
C    4.7314509755   0.7035858645   1.0437311691
C    6.1762824117   0.8031282668   1.5100055471
C   -3.0076849279   0.6134205094   0.5592991623
C   -3.3932196809   1.7450882544  -0.2659462587
C   -3.0341202518   1.6043549402  -1.5525286720
H    2.3051035850  -1.8392139656   0.9478783451
H    2.0126735238  -0.1491504197   1.3013585603
H    0.6687847485  -1.7100699729  -0.9480967275
H    0.4013456426  -0.0170253715  -0.5857981953
H    2.8411200126   0.4621302037  -0.9884011114
H    3.0903117460  -1.2317401212  -1.3446428584
H   -0.4637196979  -0.6511421112   1.6903366497
H   -0.1504628602  -2.3357240594   1.3325599856
H    5.2196951849  -0.2703096473  -0.8003628239
H    4.7899141127  -1.3743147000   0.4853043761
H   -2.4959765538  -1.9449372051   1.0285182869
H   -1.7902613816  -2.2805446654  -0.5325656832
H    4.4253152755   1.6549294782   0.5973018889
H    4.0835403386   0.5531611639   1.9113668362
H    6.5021168864  -0.1209698135   1.9913478589
H    6.8507958574   0.9909681829   0.6724012223
H    6.3118442606   1.6124084677   2.2286161128
H   -3.9113564292   2.6026653562   0.1348998377
H   -3.1986087864   2.2969722244  -2.3646927376
*