! 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   -2.2332261103   1.3953897854   0.7560096586
O   -2.8593171855  -1.3568943516  -1.7303466840
N   -2.0634331878  -0.1187656368   0.0180846350
C    2.3027818429   0.1905980720  -1.0290578393
C    1.0398183147   0.1864194587  -0.1711460176
C    3.2770065529  -0.9567642745  -0.7664644400
C    0.2154064888  -1.0861005395  -0.3131744420
C    3.7682850135  -1.0801957660   0.6733631419
C   -1.0813089701  -1.0862207912   0.4826073614
C    4.4984509993   0.1518140558   1.1947502002
C    5.1035625636  -0.0692210504   2.5733051314
C   -2.8708118321  -0.3198229226  -1.0694402321
C   -3.6966669284   0.8590501672  -1.2646517641
C   -3.4506882697   1.8275817844  -0.3677950902
H    2.8155935597   1.1462958125  -0.8911156242
H    2.0108741498   0.1624589264  -2.0833386581
H    0.4379494941   1.0530887649  -0.4577323502
H    1.2965014202   0.3371999612   0.8828233407
H    4.1426292882  -0.8291762155  -1.4238808947
H    2.8192860604  -1.9035987134  -1.0665981900
H    0.7903048614  -1.9459746862   0.0393174214
H   -0.0040979796  -1.2768994398  -1.3673296121
H    4.4416771346  -1.9412194313   0.7342717899
H    2.9320348702  -1.3138000822   1.3412577953
H   -0.8822044107  -0.8900477751   1.5372232188
H   -1.5497680934  -2.0694758525   0.4387298655
H    5.2877954954   0.4298713864   0.4891577487
H    3.8148087419   1.0044428054   1.2353093928
H    5.8309452461  -0.8833433608   2.5605565721
H    5.6159122094   0.8229167780   2.9359865967
H    4.3367722898  -0.3272966724   3.3065050497
H   -4.4263578463   0.9278175508  -2.0569808015
H   -3.9215076966   2.7967078629  -0.2935844500
*