! 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    1.4833280816  -0.8367432488   0.0844017189
O    2.2827581118  -1.8264590486   0.7806492520
O    1.8010405785   0.5717999082   0.2587893880
O    2.6427069786   2.7131979058  -1.9661994959
O    0.9439201986   1.4873667772  -2.7257014869
O   -0.3774534939  -3.1766895472   0.2950523671
O   -2.3045792149   2.5698388169   1.8837643024
O   -5.7658361941  -0.2221517471   3.2160426483
N   -0.1066136550  -0.9339132488   0.5583130535
N   -2.0705336102  -1.9805579799   1.1936296188
N   -2.1643864244   0.3151242530   1.5387489659
N   -3.9202492796  -1.1133796674   2.2011339316
C    1.4671462931  -1.2277623043  -1.6692498082
C    2.7936222601  -0.8285284890  -2.2414226093
C    3.1158791863   0.5028017034  -2.5415151689
C    3.7692905486  -1.8074847359  -2.3859038062
C    4.3950320605   0.8161166316  -2.9921564297
C    5.0361750879  -1.4910305450  -2.8523740908
C    5.3488613712  -0.1763003202  -3.1572140279
C    2.1079729218   1.5926094781  -2.4183607288
C   -0.8101634332  -2.1010270176   0.6567392520
C   -2.7392882759  -0.8688397518   1.6647870893
C   -2.8383809594   1.3651767802   1.9963438514
C   -4.5784533583  -0.0566681077   2.6589924449
C   -4.0831271436   1.2405064692   2.5862086017
C    1.7723756965   3.8373543045  -1.8222532964
C   -1.0301119730   2.7040155059   1.2563245772
C   -6.3138142136  -1.5347987625   3.3116126610
H    0.6233893603  -0.7038259725  -2.1101020697
H    1.2971011056  -2.3004159674  -1.7526845825
H    3.5305472718  -2.8332515710  -2.1367050117
H   -0.5854926262  -0.0682723021   0.8539820843
H    4.6518029390   1.8387109100  -3.2319613094
H    5.7770697024  -2.2701095456  -2.9692672953
H    6.3346245242   0.0816507025  -3.5192721342
H   -2.5737395341  -2.8538666367   1.2774672860
H   -4.6329629451   2.0907498456   2.9619187528
H    2.3846526092   4.6390766164  -1.4213607014
H    1.3547446980   4.1454592966  -2.7801059214
H    0.9616551053   3.6227347047  -1.1257591538
H   -0.8106625794   3.7678416749   1.2647302034
H   -0.2511284519   2.1804003576   1.8105237014
H   -1.0537851553   2.3530688419   0.2239984176
H   -6.4659296449  -1.9805400742   2.3291770691
H   -5.6864680331  -2.1916245479   3.9132984153
H   -7.2760441520  -1.4139255908   3.8012522279
*