! 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   -1.7585509733  -0.4378376044  -2.0055890079
S   -3.6053724220   1.3054228215   1.4332802008
O   -2.4624480952  -1.5719611866  -2.5656940873
O   -1.3925933537   0.6596884384  -2.8743533888
O   -1.0726140670   2.5122497948   1.5442996990
O   -1.3052847889  -2.4544766105   0.0765052256
O   -0.1987487438   1.7846296514  -0.3868339131
O    5.0361933818  -0.9182677977   1.9074420235
N   -0.3335199032  -0.9544970338  -1.3259873868
N    0.8674935916  -1.9438990077   0.4039043098
N    2.1763823921  -0.4087305772  -0.7516358351
N    2.9466031880  -1.4726028229   1.1974710955
N    4.3055634297   0.1025832829   0.0797810973
C   -2.7242745138   0.1330641802  -0.6400428467
C   -2.3510483204   1.0709348564   0.2938616335
C   -4.0212193201  -0.3853521553  -0.4299009636
C   -4.6139244630   0.1776405386   0.6601738998
C   -0.3290645974  -1.8263065997  -0.2707195860
C   -1.0901006461   1.8148118844   0.4226748981
C    2.0343350423  -1.2412131189   0.2635718760
C    3.3329507065   0.2572152094  -0.7963455880
C    4.0565228576  -0.7777823317   1.0483202687
C    3.5106653611   1.2143896854  -1.9159496738
C    0.0996380799   3.2834354859   1.8222379638
C    4.8721504051  -1.8069233908   3.0131636546
H   -4.4933388168  -1.1341360841  -1.0458309347
H    0.5183279109  -0.3928087302  -1.4824068556
H   -5.6005927032  -0.0294103950   1.0457590088
H    2.6538014584   1.8848777267  -1.9782838394
H    4.4196238012   1.7974838508  -1.8028068029
H    3.5599303685   0.6692591784  -2.8600513425
H    0.2668854515   4.0387191643   1.0557470910
H   -0.0848290314   3.7691802093   2.7750490054
H    0.9780579665   2.6445895960   1.9055826247
H    4.7155445392  -2.8324188024   2.6821646680
H    4.0447047246  -1.4988181079   3.6506989578
H    5.7998272813  -1.7476287614   3.5742122162
H    0.8360860485  -2.5818826586   1.1893397964
*