! 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   -0.8521065858  -1.2089201422  -0.0132623844
O    4.0988553243  -0.7072390492  -0.0022746797
N   -1.0015554295   1.3154958304   0.0033533399
N    1.8209169788  -0.8055221998  -0.0078733975
N    0.3182641627   1.0395376781   0.0025974071
N    2.9700889156   1.2382370912   0.0147005789
C   -3.2603747287   0.2868664791   0.0021374430
C   -1.7579867178   0.2767573596  -0.0033802374
C   -3.7628014260   1.7284336992  -0.0328247664
C   -3.7618704252  -0.4006010339   1.2766613348
C   -3.7764033324  -0.4661873268  -1.2283771035
C    0.5794932297  -0.2326937119  -0.0046276052
C    1.8736917712  -2.2612253063  -0.0226907739
C    3.0396268926  -0.0922247058   0.0017366085
C    4.1692216682   2.0418774957   0.0257025287
H   -4.8534758660   1.7286986968  -0.0273427995
H   -3.4260415574   2.2980009456   0.8330099107
H   -3.4345741880   2.2513162509  -0.9308994881
H   -4.8519807929  -0.3728240925   1.3076892589
H   -3.4620084727  -1.4491210550   1.3241176841
H   -3.3875041718   0.0978581332   2.1717121515
H   -3.4802611160  -1.5169750664  -1.2233092770
H   -4.8666983995  -0.4375343877  -1.2486660721
H   -3.4112425878  -0.0173655085  -2.1530057158
H    1.3943459684  -2.6587945517  -0.9177274814
H    1.3944041984  -2.6776594088   0.8638627604
H    2.9059537215  -2.5865514334  -0.0260066789
H    2.0604813653   1.6857709341   0.0162999539
H    4.7832107084   1.8736059604  -0.8588741658
H    4.7785317701   1.8558775623   0.9099737432
H    3.8701611584   3.0857922405   0.0355936663
*