! 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   -2.4902282524   0.3103657444   1.1780295131
O   -2.6726721025   0.0210109060  -2.5729357473
N   -2.2750875170  -0.3867566674  -0.3507044080
C    2.1818866670  -0.2232873964  -0.6091185402
C    0.6908670512  -0.3334240963  -0.9134254065
C    2.4901977280   0.2518945176   0.8075129115
C   -0.0221271108  -1.4005238670  -0.0941165556
C    3.9615485364   0.5790066760   1.0436122080
C   -1.4780159919  -1.5950384766  -0.4871554763
C    4.8945622695  -0.6234299861   0.9596584472
C    6.3369677133  -0.2655328011   1.2835722260
C   -2.7680544696   0.3543518257  -1.3931140177
C   -3.4056812637   1.5456091000  -0.8578690847
C   -3.3188104269   1.6346107576   0.4787116378
H    2.6324736405   0.4768390551  -1.3199136283
H    2.6565172208  -1.1914493242  -0.7968371618
H    0.5569379895  -0.5558607387  -1.9764338411
H    0.2213711183   0.6416517709  -0.7454898773
H    2.1720786538  -0.4996443386   1.5373617173
H    1.8913835864   1.1449638131   1.0150040542
H    0.0447193416  -1.1769303565   0.9747317873
H    0.4756022931  -2.3651140290  -0.2279494443
H    4.0688282659   1.0378608224   2.0318227125
H    4.2836119306   1.3384605184   0.3221451660
H   -1.9337291840  -2.3900421797   0.1056315990
H   -1.5546158864  -1.8952262403  -1.5314838339
H    4.5457066331  -1.3978514171   1.6502792068
H    4.8495563184  -1.0659400677  -0.0391501088
H    6.9912188428  -1.1362488920   1.2222321938
H    6.7246747680   0.4845971109   0.5913732210
H    6.4272187847   0.1429626482   2.2920517099
H   -3.8871786076   2.2755800193  -1.4901933786
H   -3.7056225047   2.4149958736   1.1172775505
*