! 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    0.9561907188  -1.3637008350  -0.7352840100
O    2.8073770594   0.3360517921   1.1166588206
O    0.7068942974   1.9702439870  -2.2928716683
N   -1.0825062803   0.9297213779  -1.4278792853
C    1.6315940037  -1.7921769244   0.8787012808
C    2.9472575693  -1.0786259633   1.0791360561
C    1.1233625451   0.3866512713  -0.5757008213
C    1.9679692518   0.9829635447   0.2842536788
C    0.2493991144   1.1753627268  -1.4807036208
C    2.0351446460   2.4529948099   0.5353933386
C   -1.8092014077   0.2323360212  -0.4467044233
C   -1.5214609899   0.3565121340   0.9092144475
C   -2.8800525273  -0.5583964064  -0.8514166628
C   -2.2643129771  -0.3525745588   1.8404904428
C   -3.6360169661  -1.2419020433   0.0881726893
C   -3.3226815256  -1.1556165698   1.4378431031
H    1.7984074317  -2.8683253322   0.8912904279
H    0.9148355005  -1.5445318891   1.6636361286
H    3.3817472906  -1.3516554352   2.0402892274
H    3.6524410379  -1.3595535775   0.2946844391
H    1.8353943569   2.6565409283   1.5884836820
H    1.3253047669   3.0215429671  -0.0549219038
H    3.0342382156   2.8324470715   0.3165137304
H   -1.6199914481   1.3141625135  -2.1936642661
H   -0.7273888551   1.0083373093   1.2451629016
H   -3.1167293714  -0.6447584470  -1.9046764073
H   -2.0233426250  -0.2578075993   2.8911172145
H   -4.4668113207  -1.8528220928  -0.2394188059
H   -3.9050259087  -1.6989639493   2.1697895723
*