! 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   -1.7911867957   0.7376657129  -1.6147254839
O   -2.2665545228  -0.0789532518   2.0266482495
N   -1.9141947488  -0.2255017857  -0.2282753997
C    2.2768227375  -1.7927277317  -0.3094295109
C    0.8565589450  -1.5113794539  -0.7924345843
C    2.6428097554  -1.1299258079   1.0189127661
C   -0.2212972534  -2.0049708422   0.1633161845
C    2.4090671479   0.3787988965   1.0710861511
C   -1.6374066914  -1.6549029864  -0.2678283584
C    3.1366054852   1.1847391281  -0.0019753762
C    4.6507734518   1.0394621409   0.0420298595
C   -2.1652003423   0.4645994553   0.9276438119
C   -2.2903446386   1.8770376425   0.6126140474
C   -2.1120818985   2.1424489288  -0.6922176134
H    2.9782188051  -1.4715660839  -1.0850259285
H    2.4178149334  -2.8736128810  -0.2126942243
H    0.7107635035  -1.9859564904  -1.7675901894
H    0.7443888515  -0.4378223029  -0.9681406111
H    3.6918415361  -1.3478487977   1.2380424748
H    2.0776573681  -1.5947992972   1.8315199203
H   -0.0570203770  -1.6180165412   1.1715188850
H   -0.1652391193  -3.0943568211   0.2433481729
H    2.7172705569   0.7433013166   2.0560613191
H    1.3356516100   0.5871910920   1.0053773506
H   -2.3652178429  -2.1451975637   0.3785028279
H   -1.8354667811  -2.0116740583  -1.2797382039
H    2.7734612174   0.9041284756  -0.9950102729
H    2.8748606549   2.2391791210   0.1198643843
H    4.9721155164   0.0197716518  -0.1762464126
H    5.1308133142   1.6909490390  -0.6894657899
H    5.0456336067   1.3040019272   1.0252617416
H   -2.5032740782   2.6197290381   1.3661021058
H   -2.1540574029   3.1027673254  -1.1851457731
*