! 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   -2.1388060198   1.7706055923   0.5558624566
O   -1.9923786001   1.7183920988   1.9930206038
O   -2.8059420260   2.8984288414  -0.0521856446
O   -1.2466727613   1.5730662473  -2.2177753311
O    4.8026808819  -1.3212142226  -1.3458465630
O    2.8798207969   0.5981740528   2.4140026947
N   -4.0988011357   0.2165109143  -0.6147218978
N   -0.6009220214   1.6244815989  -0.0413091830
N   -4.3739339644  -1.0197832899  -0.9914685922
N   -0.3905564555  -2.4203244584  -0.1043908332
N   -0.4987374998  -1.0638946800   1.6257415214
N    0.6261033659  -2.5512815944   0.7045870560
N    0.8608937069   0.9400871718  -1.7177556223
N    0.5867639244  -1.7574366912   1.7335300663
N    2.8341813852  -0.1758864814  -1.5412779129
N    1.8654183572   0.8082090858   0.3734053814
C   -2.8887807655   0.2882522034  -0.0226107473
C   -2.3567605040  -0.9910279614  -0.0126144429
C   -3.3388315586  -1.7588095929  -0.6458712974
C   -1.0895744933  -1.4743063097   0.4938631714
C   -5.0577465417   1.2681560600  -0.9018766784
C   -0.3849287397   1.4001414047  -1.3823693596
C    1.8974370363   0.5078273820  -0.9125764890
C    1.6987238587  -3.4971498034   0.4848121723
C    3.8278563690  -0.6265239916  -0.7863961235
C    2.8616260853   0.3377371229   1.1204758078
C    3.8968390110  -0.4087313610   0.5843099981
C    4.7729792153  -1.5504271423  -2.7538956568
C    1.8461899090   1.4019933079   2.9803264650
H   -3.3269218632  -2.8188823384  -0.8412075119
H    0.1715277380   1.4164729368   0.6094535061
H   -4.6892807220   1.9241007140  -1.6856390975
H   -5.2827842998   1.8445941989  -0.0102604802
H   -5.9653940510   0.7827731066  -1.2422764786
H    2.4597837498  -3.3317835353   1.2389097006
H    2.1195609476  -3.3525854323  -0.5060517727
H    1.3155131003  -4.5105651503   0.5687097495
H    4.7079029575  -0.7865989958   1.1890231891
H    5.6694167020  -2.1225282071  -2.9750769786
H    4.7965804755  -0.6167018853  -3.3145165285
H    3.8976909413  -2.1277615386  -3.0499457767
H    2.0948327215   1.4981734208   4.0333188244
H    0.8694585144   0.9265382550   2.8932401844
H    1.8166240391   2.3944269537   2.5307243122
H    0.9735359542   0.7420209083  -2.7037052120
*