! 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   -2.7295464847   0.8635529770  -1.0186297091
O    4.3446150057  -0.4588935131  -0.5417646039
O   -3.0683158674   0.5904378162  -2.3989051474
O   -3.3414357194   1.9953566086  -0.3560116685
O    1.0046930234   2.5719175152   0.1177039489
O   -0.4861126898  -0.8618743200  -1.7700521560
O   -2.0171961136   1.2119989192   2.1545259980
O   -0.2191516385  -0.1144984861   2.0180158028
N    2.9263004592   1.2732918527  -0.0367872383
N    1.1357713762   0.4904412643  -0.9409023130
N   -1.0835228777   1.1402900109  -0.8821955086
N    2.1103978089  -0.4549240067  -1.1693733687
C   -2.9427107334  -0.6354969346  -0.0901920740
C    3.1506174921   0.0531503050  -0.6120656578
C   -2.2891058351  -0.8588683890   1.1228985580
C    1.6143759625   1.5778197597  -0.2314926137
C   -0.1763913523   0.1795028076  -1.2502897891
C    4.5389277438  -1.7699512777  -1.1173917720
C   -3.7488464245  -1.6092972411  -0.6579774487
C    5.9044333852  -2.2632278585  -0.7094230614
C    3.8871356574   2.0811112209   0.6839949788
C   -2.4420980895  -2.0912856750   1.7416614685
C   -3.9263832070  -2.8175490777  -0.0015902292
C   -3.2684233867  -3.0603032644   1.1915535078
C   -1.3819349577   0.1195392559   1.7974956494
C    6.0627239322  -2.4535382516   0.7909442116
C   -1.2773843597   2.2179004915   2.8600144648
H   -0.7759528110   2.0298768975  -0.4842364588
H    4.4500753592  -1.6915376514  -2.2023424966
H    3.7571298939  -2.4398346636  -0.7524654856
H   -4.2322823835  -1.4477552795  -1.6103667584
H    6.0474596836  -3.2177887172  -1.2205920085
H    6.6730849741  -1.5908635765  -1.0974698343
H    4.7398964250   2.3113560848   0.0514638361
H    3.4078942653   3.0110111305   0.9729902574
H    4.2221906401   1.5663126213   1.5807468542
H   -1.9229688001  -2.2930672382   2.6687603456
H   -4.5622386327  -3.5729574888  -0.4407858564
H   -3.3852007073  -4.0099258547   1.6942379344
H    5.9895767463  -1.5114878709   1.3341669227
H    5.2991495416  -3.1258461192   1.1857561789
H    7.0346298468  -2.8877437595   1.0240448763
H   -0.4421726765   2.5865840694   2.2673284934
H   -0.9095356447   1.8345581117   3.8106985557
H   -1.9791227988   3.0252926199   3.0410687268
*