! 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   -0.9194544167   0.9588667322   0.8071129163
O   -3.2301918168  -0.1982177088  -1.9268011091
N   -1.7721643047  -0.1328252405  -0.1654001102
C    1.5122745139  -1.9273001338   0.5001847114
C    0.8740052095  -1.6120383545  -0.8491784368
C    3.0121852757  -1.6391066730   0.5478373676
C   -0.5493160462  -2.1372641761  -1.0078034561
C    3.4038132255  -0.1738995382   0.3724927593
C   -1.5761666359  -1.5693513283  -0.0382384184
C    2.9626382594   0.7295616349   1.5173055275
C    3.3815760905   2.1778467428   1.3164896103
C   -2.5569885446   0.4482091297  -1.1253545322
C   -2.4487932718   1.8922255503  -1.0077704418
C   -1.6131786954   2.2793734287  -0.0300721469
H    1.3565976358  -2.9874343631   0.7242731448
H    1.0061626813  -1.3814949591   1.3028223589
H    1.4841065434  -2.0625588107  -1.6380232995
H    0.8978568114  -0.5356735773  -1.0412501990
H    3.5036643184  -2.2343331165  -0.2280950741
H    3.4125967107  -1.9985661001   1.5010378038
H   -0.5526610777  -3.2224493137  -0.8703619637
H   -0.8934700718  -1.9580369953  -2.0290119566
H    3.0042540322   0.2134635816  -0.5704721318
H    4.4926981726  -0.1129119226   0.2787879426
H   -1.3098572476  -1.7854774228   0.9967464276
H   -2.5439387210  -2.0421885356  -0.2045859534
H    1.8765113578   0.6859836536   1.6297992681
H    3.3803093817   0.3518251404   2.4557019035
H    3.0624320587   2.8075636608   2.1480545072
H    4.4661077876   2.2703785359   1.2316339363
H    2.9452533476   2.5924118799   0.4055308194
H   -2.9908332958   2.5668697988  -1.6525262633
H   -1.3578660311   3.2870913596   0.2627331020
*