! 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   -2.1556707990  -0.7185881707  -1.2721564766
O    4.2469689023   0.0177036568  -0.2042356627
O   -2.1464653520  -2.1457030107  -1.0203094270
O   -2.7285909218  -0.2060661732  -2.4968010476
O    1.4793338730   3.5238542424  -1.1021657601
O   -0.9033587789   1.9576624556  -1.5021955487
O   -2.4080823323  -2.3700158980   2.5270044144
O   -0.6583452353  -1.4649791036   1.4715181629
N    3.1467461590   1.9894567525  -0.5970660556
N    1.1910784802   1.1953350141  -1.0245099900
N   -0.5452020466  -0.2746217784  -1.2230546212
N    1.9924833437   0.1044349260  -0.7542843579
C   -2.9210511382   0.1070709811   0.0974356225
C    3.1407967172   0.6293804138  -0.5100164623
C   -2.7735341387  -0.3690425945   1.4037449874
C    1.8802555031   2.3965300294  -0.9327599308
C   -0.1573498028   1.0381733260  -1.2724351598
C    4.2212052049  -1.4251715755  -0.1487137617
C   -3.7616258728   1.1710399615  -0.1871503447
C    5.6227184943  -1.9057585604   0.1345785163
C    4.2820343529   2.8586289360  -0.3784501375
C   -3.4855675530   0.2551155830   2.4185813721
C   -4.4515721325   1.7920506835   0.8436902897
C   -4.3116248787   1.3360217615   2.1422673088
C   -1.8239324819  -1.4583104024   1.7785331097
C    6.6299947678  -1.5400620897  -0.9449048903
C   -1.5870135508  -3.4295498314   3.0334385904
H    0.1070454761  -0.9741020104  -0.8792433519
H    3.8592132216  -1.8108384966  -1.1045370800
H    3.5296065303  -1.7366262987   0.6361546601
H   -3.8944469038   1.5176685941  -1.2010230980
H    5.9509260164  -1.5342912513   1.1082113274
H    5.5580140320  -2.9919760112   0.2283830539
H    4.6792462699   2.7224032765   0.6241174043
H    5.0613741601   2.6648673186  -1.1112147306
H    3.9527175698   3.8873691768  -0.4838686381
H   -3.3860643791  -0.0895246525   3.4385675809
H   -5.1028136205   2.6255827498   0.6219427637
H   -4.8496221363   1.8147580954   2.9484616142
H    7.5984258052  -1.9941333339  -0.7357255231
H    6.3060666693  -1.8937651579  -1.9253160082
H    6.7854899650  -0.4633699527  -1.0140197303
H   -2.2479093917  -4.0603157691   3.6187586662
H   -0.7943911995  -3.0423436981   3.6716194055
H   -1.1536211428  -4.0122126909   2.2223580740
*