! 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    2.3739083105  -0.7826180977  -1.5640678662
O    3.2440868010   0.2720532498   1.2560035732
O   -0.2679160617   0.5410790275  -1.8278922664
N   -0.8708453379  -0.1124365200   0.2681433320
C    4.0293953102  -0.5098057904  -0.9045041553
C    4.0306931242  -0.7056231823   0.5931438695
C    1.4493497232   0.0213029049  -0.2909265912
C    1.9711137570   0.4831161300   0.8626037975
C    0.0316705328   0.2035964376  -0.6926752482
C    1.2660631829   1.3467161027   1.8589335140
C   -2.2656967623  -0.0039078278   0.2543833806
C   -3.0112953834   0.5158785324  -0.8041967757
C   -2.9298735294  -0.4484104491   1.4006026904
C   -4.3949802540   0.5794200933  -0.6993084411
C   -4.3086657161  -0.3788457016   1.4894589279
C   -5.0543123343   0.1358964932   0.4366927220
H    4.3897239931   0.4851479974  -1.1670378536
H    4.6859294096  -1.2430841955  -1.3708497732
H    3.6790660554  -1.7076393315   0.8498314523
H    5.0385505597  -0.5856218763   0.9875469996
H    1.0054284158   0.7826141900   2.7572511394
H    0.3641688055   1.8052611866   1.4656975248
H    1.9310472369   2.1536487223   2.1703486755
H   -0.4881427603  -0.4990257491   1.1178141210
H   -2.5354036849   0.8682011056  -1.7039568303
H   -2.3599769112  -0.8517228782   2.2297033059
H   -4.9604701589   0.9839396924  -1.5285768386
H   -4.7995407672  -0.7300582344   2.3873381638
H   -6.1325047955   0.1902959010   0.5027385201
*