! 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   -2.4981970499   0.7150824003  -0.9268360145
O    4.6998351360  -0.0181748182  -0.9377986646
O   -2.8682860547   0.4385035627  -2.2970277710
O   -3.1297783360   1.8109163160  -0.2172808081
O    1.1448569366   2.6681804527   0.0226322481
O   -0.1719957598  -0.8763635056  -1.7952354044
O   -1.3836395590   1.0328297382   2.0266414014
O   -3.3389138739   0.8301066500   3.0925002001
N    3.1647060994   1.5696974613  -0.3206680241
N    1.3788419737   0.5745228502  -0.9941189478
N   -0.8675362684   1.0838935339  -0.8811315867
N    2.4157513566  -0.2758368597  -1.3020377643
C   -2.6911887937  -0.7740036789   0.0168405153
C    3.4519727282   0.3559239802  -0.8806072739
C   -2.7638805692  -0.7434329507   1.4116257805
C    1.8145020564   1.7318885320  -0.3760107330
C    0.0791684865   0.1784629036  -1.2697943237
C    4.9846275518  -1.3481117695  -1.4225670540
C   -2.9017692208  -1.9512577073  -0.6849750263
C    4.7467583586  -2.4032913838  -0.3628874293
C    4.1084024924   2.5067048858   0.2506029335
C   -3.0580496917  -1.9207548258   2.0853628802
C   -3.1635974107  -3.1229334705   0.0078792111
C   -3.2430806799  -3.1066371499   1.3897202124
C   -2.5514521455   0.4700302814   2.2547688463
C    5.1203407722  -3.7798518454  -0.8927534737
C   -1.0625168114   2.2106910797   2.7764404656
H   -0.5927917406   1.9291289899  -0.3775925181
H    6.0356523589  -1.3106295078  -1.7027104156
H    4.4010063160  -1.5411784817  -2.3247950732
H   -2.8736832050  -1.9658895519  -1.7640634805
H    5.3448763279  -2.1693209235   0.5203696435
H    3.6997437024  -2.4023947526  -0.0539982614
H    4.8352619104   2.8163517765  -0.4955460040
H    3.5629029096   3.3820946410   0.5884315504
H    4.6198636436   2.0630833422   1.1009589801
H   -3.1269118962  -1.9165022194   3.1646518232
H   -3.3185232181  -4.0416459771  -0.5398121162
H   -3.4572230285  -4.0161202181   1.9333559330
H    4.5144245593  -4.0542061854  -1.7575334955
H    6.1682339628  -3.8231817979  -1.1932311476
H    4.9655439106  -4.5408003420  -0.1286957411
H   -0.0781839968   2.5186731677   2.4400132575
H   -1.0290482666   1.9982058132   3.8439392947
H   -1.7788266563   3.0080977374   2.5830590927
*