! 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   -1.7069924921  -1.7436862932  -0.0140978235
S   -3.6222670866   2.0618546338   0.3519031707
O   -1.4577598502  -2.1936032993   1.3379056017
O   -2.3262906668  -2.6520588358  -0.9550475211
O   -1.2916945792   2.5140893495   1.8549395977
O   -1.0182490145  -0.5296018703  -2.5881386421
O   -0.3408826577   0.4893976581   1.7356439669
O    3.6059735077  -1.1283223666   1.6531126278
N   -0.2211604894  -1.2759826301  -0.5988067654
N    1.1434622282  -0.1228137336  -2.0951778979
N    3.2914323030   0.6001769595  -1.8902363622
N    2.3179522715  -0.6700707711  -0.1670103328
N    4.5337636303   0.0883217713   0.0407836596
C   -2.6772303318  -0.2662281732  -0.0232474771
C   -2.3909294420   0.9074857315   0.6334925611
C   -3.8899516508  -0.2248972901  -0.7464707351
C   -4.5073544073   0.9827697421  -0.6182775426
C   -0.0993901631  -0.6441493003  -1.8066609366
C   -1.2287880688   1.2557722724   1.4611380849
C    2.2892058972  -0.0697831171  -1.3479084155
C    4.3956962403   0.6549130418  -1.1496467011
C    3.4667333631  -0.5619257204   0.4794653786
C    5.5600346492   1.3821095353  -1.7157100461
C   -0.2219472796   3.0016302526   2.6715953286
C    2.5020422585  -1.8370444047   2.2209818751
H   -4.2890503722  -1.0395875301  -1.3294216106
H    0.5729959170  -1.2399816362   0.0516600789
H   -5.4440050247   1.2857095111  -1.0606296976
H    6.0850782283   0.7290564462  -2.4164313554
H    5.2400657382   2.2615415244  -2.2704939760
H    6.2619375183   1.6741999048  -0.9393642320
H   -0.4584645361   4.0401375489   2.8793488017
H   -0.1590587366   2.4488504852   3.6078381136
H    0.7305244243   2.9443974071   2.1463516735
H    2.2035890143  -2.6779572992   1.5958683049
H    1.6531269903  -1.1763944679   2.3896264397
H    2.8568167809  -2.2113575291   3.1763076922
H    1.1942957700   0.3467578530  -2.9904865666
*