! 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   -1.7533622619  -1.8117335882   0.0213766270
S   -3.4440508271   2.1083344896   0.2907553577
O   -1.4715664973  -2.2325077753   1.3768989502
O   -2.4565687059  -2.7132555934  -0.8653124747
O   -0.9450282144   2.5562553747   1.4816769947
O   -1.1008740381  -0.5916241470  -2.5682024252
O   -0.1423258758   0.4663162160   1.5339385249
O    3.4954970949  -1.2580727474   1.6763252041
N   -0.2705293933  -1.4386483682  -0.6330732726
N    1.0496118857  -0.1451803332  -2.0507946662
N    3.0980575325   0.7844808385  -1.6878151423
N    2.2386491399  -0.7804573740  -0.1595314077
N    4.3234986399   0.2256808383   0.2416933916
C   -2.6494289031  -0.2875845889   0.0060645099
C   -2.2476080917   0.9117569034   0.5463067262
C   -3.9210860045  -0.2309139717  -0.6058482715
C   -4.4663315950   1.0140389614  -0.5115316946
C   -0.1739175505  -0.7280806672  -1.8001946331
C   -0.9987575979   1.2603600969   1.2372670260
C    2.1655607400  -0.0498144693  -1.2615395279
C    4.1647632127   0.8848503155  -0.8980961128
C    3.3334131013  -0.5941220773   0.5582351151
C    5.2613169103   1.7824354364  -1.3395869178
C    0.2253637989   3.0560071159   2.1350682921
C    2.4858005876  -2.1798277420   2.0929472087
H   -4.4094848355  -1.0604740613  -1.0919047889
H    0.5416437426  -1.4292698325  -0.0022143962
H   -5.4256483997   1.3347248909  -0.8877488570
H    4.8765372487   2.6280871808  -1.9045394244
H    5.8458129670   2.1391298899  -0.4955508488
H    5.9327278606   1.2263445714  -1.9980014439
H    0.0716184515   4.1250781073   2.2396521234
H    0.3499026424   2.6086202885   3.1199011936
H    1.1161128915   2.8758566579   1.5344635057
H    2.3194393098  -2.9554123770   1.3463858593
H    1.5497762365  -1.6686135092   2.3159100934
H    2.8652370247  -2.6361181482   3.0020474439
H    1.0795303582   0.4012619590  -2.9024410606
*