! 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   -0.8487356344   1.2232192852  -0.8409060899
O   -3.8413274152  -0.8490242730   0.1145886826
N   -1.8348619643  -0.1503002171  -0.7329622635
C    1.6645619271  -1.4701940942  -0.3662284125
C    0.4867215185  -1.7018365909   0.5741397715
C    2.9165388623  -0.9332076850   0.3227533853
C   -0.7409641545  -2.3030393857  -0.1025352434
C    2.7650725880   0.4822360788   0.8717461974
C   -1.3701358412  -1.4503004453  -1.1953981785
C    4.0282870134   1.0307968027   1.5304625031
C    5.1803872479   1.2672488519   0.5640799959
C   -3.0191060796   0.0465454743  -0.0759500056
C   -3.1095102498   1.4409583820   0.3201780081
C   -2.0267875768   2.1569927933  -0.0262359631
H    1.3881171660  -0.7780179270  -1.1689258512
H    1.9063355671  -2.4164219162  -0.8605982972
H    0.2113130194  -0.7738419379   1.0819995638
H    0.8026705181  -2.3868006866   1.3666845956
H    3.7401944531  -0.9600158310  -0.3957807952
H    3.2033209953  -1.6083937130   1.1368709104
H   -1.4999816010  -2.5277892335   0.6499909403
H   -0.4741928282  -3.2587184667  -0.5633772760
H    1.9520073801   0.5081861003   1.6019826831
H    2.4610303984   1.1532323065   0.0603420408
H   -2.2296138500  -1.9678192920  -1.6212632062
H   -0.6772821998  -1.2869108191  -2.0212248541
H    3.7852922217   1.9742719409   2.0265283156
H    4.3495833920   0.3479548248   2.3233740060
H    5.5254361026   0.3436024625   0.0977537396
H    4.8882051360   1.9507204316  -0.2359013016
H    6.0375846500   1.7089182017   1.0741101495
H   -3.9660853062   1.8407367876   0.8405170636
H   -1.8433507279   3.2062799225   0.1513941062
*