! 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   -1.7247134092  -1.7592955817  -0.0887542826
S   -3.5619279492   2.0937059065   0.1545575230
O   -2.3205352358  -2.7763641209   0.7510693465
O   -1.5642262352  -2.0141784359  -1.5040232415
O   -1.3111388467   2.7092226311  -1.3949893994
O   -0.8584127468  -0.8891750074   2.5721805252
O   -0.3497281393   0.6901551679  -1.5360882074
O    3.4322467287  -0.9394266050  -2.0432240572
N   -0.1955901634  -1.4215813071   0.4674543888
N    1.2590937962  -0.3984564238   1.9715996973
N    3.3548033284   0.4346327821   1.6648342868
N    2.2909745548  -0.7180112230  -0.0863503646
N    4.4479174453   0.1621691084  -0.4006923122
C   -2.6486785859  -0.2767366507   0.1775716993
C   -2.3683750003   0.9693017458  -0.3331661383
C   -3.8269230695  -0.3128063364   0.9554925410
C   -4.4241679361   0.9105602568   1.0158475611
C    0.0049240072  -0.9104971112   1.7224949219
C   -1.2322411191   1.4146733090  -1.1511943795
C    2.3367084815  -0.2273290083   1.1434335980
C    4.3900193885   0.6079641614   0.8462936898
C    3.3734501206  -0.4938603364  -0.8119328156
C    5.5672578834   1.3347752199   1.3845420346
C   -0.2596089658   3.3037837963  -2.1631323930
C    2.3236803151  -1.6694467018  -2.5741808603
H   -4.2166173891  -1.1906359563   1.4456539502
H    0.5523802176  -1.2932935969  -0.2259157523
H   -5.3341201261   1.1659186979   1.5367499438
H    5.2573738665   2.1569152814   2.0262990079
H    6.1620888043   0.6530113308   1.9964636378
H    6.2014929626   1.7118816960   0.5870211130
H   -0.5146683691   4.3556261535  -2.2465986818
H    0.7005192904   3.2017025208  -1.6577339624
H   -0.2006485723   2.8638626512  -3.1582009221
H    2.1408245460  -2.5819778591  -2.0078501667
H    2.6061755589  -1.9313302322  -3.5892550965
H    1.4221626426  -1.0589082393  -2.6014842624
H    1.3710338000  -0.0203783313   2.9038875931
*