! 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   -3.3025019603   0.0346863899   0.9245343829
O   -1.9741116831   0.7991619878  -2.5152952396
N   -2.2364816064  -0.0194557365  -0.3903970385
C    2.1977947404  -0.7107015276  -0.4637679990
C    1.3374009978  -0.7404459558   0.7946685464
C    3.4795768483  -1.5329378813  -0.3524398849
C    0.0137301137   0.0063692087   0.6590293153
C    4.4512252534  -1.0960814678   0.7409624903
C   -0.9616598778  -0.7051158640  -0.2680083225
C    4.9697257747   0.3285523847   0.5872178237
C    6.0489229889   0.6697887035   1.6035249186
C   -2.6352410701   0.7063440834  -1.4822624446
C   -3.9287328615   1.3040378402  -1.1981310392
C   -4.3775666896   1.0270633372   0.0366675394
H    2.4349420820   0.3291724502  -0.7107458861
H    1.6273911892  -1.0934545902  -1.3149361649
H    1.8913147115  -0.3006636870   1.6275489186
H    1.1408242729  -1.7799271997   1.0807743190
H    3.9992674183  -1.5032143928  -1.3152543656
H    3.2102541855  -2.5811939855  -0.1883982460
H    0.1920797704   1.0205833610   0.2903199040
H   -0.4392887179   0.1089757861   1.6490512408
H    5.3033027261  -1.7834113772   0.7368966853
H    3.9893088763  -1.2081916707   1.7272206512
H   -1.1422135396  -1.7253821478   0.0778413201
H   -0.5625539159  -0.7826893759  -1.2779289186
H    5.3653801986   0.4619756562  -0.4248320814
H    4.1457531603   1.0409275004   0.6861087019
H    6.4061251842   1.6935425925   1.4831849019
H    5.6775873585   0.5707198859   2.6254957087
H    6.9111444482   0.0074294062   1.5033938051
H   -4.4547879759   1.9102266142  -1.9194982800
H   -5.3019282398   1.3485501801   0.4938834094
*