! 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   -1.3304670309   0.6897391794  -1.5878287127
O   -1.9384620797  -0.1832294889   2.0258828982
N   -1.6232632233  -0.3017483314  -0.2440296679
C    1.1475069165  -1.6375429565   0.9514615247
C    0.5768517625  -2.7812873158   0.1183534846
C    1.8192736205  -0.5276670993   0.1533747688
C   -0.4742168810  -2.4278800586  -0.9328519274
C    2.2480405748   0.6437347721   1.0298885320
C   -1.7413990271  -1.7409769213  -0.4283588867
C    2.7798235374   1.8429770765   0.2521359012
C    4.0565869279   1.5609536939  -0.5263354433
C   -1.7048277783   0.3654227128   0.9500116134
C   -1.4756879073   1.7809837304   0.7126923173
C   -1.2665343682   2.0724141992  -0.5803657550
H    1.8788349024  -2.0616007094   1.6471546921
H    0.3639802375  -1.2149693400   1.5845806899
H    0.1456745655  -3.5217607160   0.7986714821
H    1.3966449009  -3.2917428310  -0.3961593951
H    1.1436985026  -0.1500606607  -0.6198049313
H    2.6810443876  -0.9407097794  -0.3803733172
H   -0.7963439897  -3.3599191781  -1.4026899708
H   -0.0304257722  -1.8407270382  -1.7424334267
H    3.0038347692   0.3097703387   1.7495340787
H    1.3873518020   0.9684992007   1.6236939741
H   -2.0535386442  -2.1540361838   0.5305112934
H   -2.5593810292  -1.9259044106  -1.1268302641
H    2.0021619762   2.1974791473  -0.4326849281
H    2.9629664672   2.6644830411   0.9499413784
H    3.9069934960   0.8106167663  -1.3037026658
H    4.4283451089   2.4622092460  -1.0158284172
H    4.8474377642   1.1972348327   0.1331189242
H   -1.4814365539   2.5060686512   1.5119853907
H   -1.0807593860   3.0411866677  -1.0201032591
*