! 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   -0.4460058150   0.9532948477  -1.3230174994
O   -3.0499080087  -0.3475426451   1.0598174849
N   -1.5615125675  -0.1346759389  -0.6616938891
C    0.9935551203  -1.5518682245   1.0462177593
C    0.5898919977  -2.2956466655  -0.2252680417
C    2.4946157754  -1.2720757189   1.1237450373
C   -0.9156666435  -2.5388662003  -0.3642955683
C    2.9563090432  -0.0938300090   0.2667930408
C   -1.6720537809  -1.4930109644  -1.1706947848
C    2.5955839516   1.2612656205   0.8649896783
C    2.9225240315   2.4238169142  -0.0587617993
C   -2.2198306619   0.3223258726   0.4482323330
C   -1.7766535464   1.6773827487   0.7296058456
C   -0.8435691837   2.1152999398  -0.1321120738
H    0.6948788154  -2.1622508940   1.9035173488
H    0.4357907307  -0.6159520373   1.1444823494
H    1.1018467425  -3.2614862341  -0.2189771490
H    0.9658503096  -1.7743946302  -1.1118054931
H    3.0347428870  -2.1771755401   0.8287175720
H    2.7786821546  -1.0807248578   2.1630729474
H   -1.3725213004  -2.6438589330   0.6227772785
H   -1.0908853371  -3.4866085122  -0.8782645732
H    2.5305107466  -0.1726625798  -0.7392304568
H    4.0415130492  -0.1414674420   0.1353375800
H   -2.7319775876  -1.7447904509  -1.2126619476
H   -1.3168725139  -1.4892231169  -2.2020018320
H    1.5313449155   1.2875834371   1.1147979839
H    3.1288574705   1.3857151330   1.8123893456
H    3.9864329795   2.4520149288  -0.3019908480
H    2.3787635300   2.3467650508  -1.0031492338
H    2.6635463598   3.3824426137   0.3926895681
H   -2.1699264995   2.2556215121   1.5514263042
H   -0.3603086152   3.0812378139  -0.1470898345
*