! 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   -1.9335283357   0.9460424063   1.1660797934
O   -2.4488940704   1.8153423249   0.1248992913
O   -2.5254235354   1.0137450467   2.4865441680
O   -0.4567715321   0.6048906457  -1.6647765841
O   -0.0617550750   3.3218796602   0.7219421298
O   -2.3731523068   0.1773554874  -2.7393672435
N   -0.2819443792   1.1241649339   1.3109604035
N    1.7146297079   1.9457863297   0.4843467875
N    3.5214928521   0.8038864277  -0.3210686818
N    1.7593924761  -0.3670462073   0.7249462359
C   -1.9850233435  -0.7344943264   0.5992744634
C   -1.8536182515  -1.0280539439  -0.7590133494
C   -2.2020256470  -1.7336072550   1.5348753722
C   -1.9616250556  -2.3504206927  -1.1636929837
C   -2.2730009551  -3.0537022089   1.1159384188
C   -2.1566970898  -3.3589147442  -0.2295758236
C    0.4053460349   2.2079524675   0.8202517298
C   -1.6152160422  -0.0025082997  -1.8212807637
C    2.3484306483   0.7309105892   0.2886309422
C    4.1525218211  -0.3469032773  -0.5311860211
C    2.3638286159  -1.5342347294   0.4904576920
C    3.5901751821  -1.5611928215  -0.1436825107
C    5.4853883154  -0.3046640926  -1.1955861144
C    1.6394479135  -2.7648872894   0.9105845102
C   -0.1211669569   1.6397382011  -2.5955287814
H   -2.3190370179  -1.4956182769   2.5827556222
H   -1.8764550180  -2.6001048596  -2.2127463825
H   -2.4312534301  -3.8362949907   1.8442666952
H   -2.2222207471  -4.3858207281  -0.5610511216
H    2.2257050612   2.7512294897   0.1474759362
H    4.1003448188  -2.4948639832  -0.3334384578
H    5.5047809353  -0.9631106902  -2.0643465515
H    5.7408633490   0.7031415017  -1.5129567479
H    6.2585763324  -0.6585088157  -0.5117597668
H    1.1223245203  -2.6131367697   1.8570145537
H    0.8835685591  -3.0169870147   0.1624544048
H    2.3111357388  -3.6158326214   1.0032347122
H   -0.7875054427   2.4938288061  -2.4826650491
H   -0.1549801999   1.2794147434  -3.6223839898
H    0.8954736844   1.9379224058  -2.3579118753
H    0.2663232524   0.2360591181   1.2998071405
*