! 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    1.4155258152   0.0983557209   1.6903849750
S    3.8891571380  -1.5329288923  -1.3250088315
O    1.7036160498   1.4885544200   1.9833486273
O    1.6268726130  -0.9066667107   2.7071260180
O   -4.7094893771   1.4193692929  -0.1321604416
O    0.6831066548   1.9405077664  -0.7512940979
O   -0.2968309046  -2.0518972360   0.5551652191
O   -2.8193180937  -2.6927448241  -0.6938887573
O    2.5832902473   2.8316227206  -1.5207040505
N   -0.2086773871   0.1004842263   1.2889065671
N   -2.1006813344  -0.6838481082   0.2831369040
N   -4.0731556034  -0.7411606923  -0.5819575892
N   -2.6345311208   0.5745436327   0.4703448564
C    2.2868199135  -0.3575078093   0.2376306033
C    2.9532522912  -1.5498249070   0.1127724850
C    2.5506763465   0.5677998413  -0.8274665527
C    3.4176947998   0.0513845579  -1.7353140632
C   -0.8166854963  -0.9729064685   0.7013093691
C    3.0202480761  -2.7577546128   0.9813397811
C   -2.9735380171  -1.5376500655  -0.3752904788
C   -3.8032149518   0.4861270254  -0.0579754818
C    1.9636617174   1.9069037276  -1.0556861598
C   -5.2944197441  -1.1468730357  -1.2431714189
C   -4.3787463257   2.6861747559   0.4499148040
C   -0.0043766300   3.1869918882  -0.8909653409
H   -0.6744354199   1.0029814211   1.2861687827
H    3.7716763426   0.5184875148  -2.6417223816
H    2.0276759081  -3.1019379957   1.2578962357
H    3.5238367149  -3.5723930782   0.4645157682
H    3.5791097777  -2.5537766881   1.8934415816
H   -5.4854304727  -0.5193901025  -2.1099505779
H   -6.1375182211  -1.0947053887  -0.5588956743
H   -5.1793454431  -2.1733081515  -1.5768079654
H   -3.5067330872   3.1219919995  -0.0369361776
H   -4.1942377706   2.5856240181   1.5187100475
H   -5.2419846252   3.3224425136   0.2864911582
H   -1.0303680576   2.9929856947  -0.5920256797
H    0.0090506528   3.5319976733  -1.9235429038
H    0.4245458384   3.9485991922  -0.2413294944
*