! 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   -2.2759146702   0.7194170646  -1.6553653815
O   -2.7144193766  -0.2562338742   1.9516770065
N   -2.2211378671  -0.2671216612  -0.2809520345
C    2.2519607631  -1.0545063154  -0.3928092849
C    0.7864071354  -0.9049888947  -0.7950739924
C    2.6093034961  -0.3544263764   0.9135106362
C   -0.1778163671  -1.6397844231   0.1279053788
C    4.0589486985  -0.5567271950   1.3496508817
C   -1.6296742433  -1.5959205485  -0.3230691742
C    5.1163051096  -0.0726482208   0.3600925006
C    5.0198344351   1.4102573045   0.0322301926
C   -2.7005531479   0.3147228676   0.8620438567
C   -3.1682151340   1.6531202900   0.5454442031
C   -2.9956074916   1.9786859215  -0.7461887442
H    2.8721634193  -0.6559414448  -1.2004494966
H    2.5017364289  -2.1190152480  -0.3184884375
H    0.6573503477  -1.2860450236  -1.8130992451
H    0.5386678064   0.1603140272  -0.8357580554
H    1.9623052230  -0.7163866320   1.7172668545
H    2.3905273426   0.7143383103   0.8184141774
H   -0.1108307182  -1.2585846476   1.1492895931
H    0.1057114704  -2.6953660765   0.1761633837
H    4.2228239774  -1.6204503901   1.5490186700
H    4.2113903311  -0.0451534729   2.3052903004
H   -2.2412069739  -2.2411346328   0.3075031495
H   -1.7283468106  -1.9792633683  -1.3400069679
H    6.1034419026  -0.2820423683   0.7808065164
H    5.0609861890  -0.6542136274  -0.5643713784
H    5.8352303651   1.7231706828  -0.6214385990
H    4.0868665910   1.6582555252  -0.4766430522
H    5.0720412105   2.0208864095   0.9362028891
H   -3.6050784675   2.3026498833   1.2884684921
H   -3.2547542422   2.9056020099  -1.2365072827
*