! 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    1.9009963471   1.8115355854  -0.6118935094
O    2.8332792822   0.5119088779  -0.4302083014
O    1.3557113562  -1.6674090061  -0.1087278537
O    2.2229148249   2.6112206522   0.5389076230
O    2.0433497839   2.3182873935  -1.9490978268
O   -1.4502175062   1.5366096776   3.5912075852
O   -5.1615034652  -0.6942492619   1.9218410849
O   -0.0467267863   0.3638552047  -2.4143585342
N    0.3667073101   1.2829487446  -0.3617221389
N   -1.6224144487   0.1876085557  -0.8138225234
N   -1.5131508153   0.8895415709   1.3991538839
N   -3.3906886018  -0.2557833976   0.5447837300
C    2.8697439509  -0.4715177929  -1.4194504654
C    2.1142943373  -1.6292530419  -1.2139488415
C    3.6876429672  -0.3151644251  -2.5176523355
C    2.2026564448  -2.6422322806  -2.1634704763
C    3.7643257551  -1.3320893850  -3.4601482194
C    3.0204454987  -2.4859203119  -3.2759393200
C    0.6693360952  -2.8775948760   0.2022787940
C   -0.3949033628   0.5927384447  -1.2794487221
C   -2.1913427648   0.2835003688   0.4388267243
C    0.0139789487  -2.7189464637   1.5502768313
C   -2.0905299009   0.9487833227   2.5963468525
C   -3.9575580265  -0.1810751014   1.7416242126
C   -3.3442692349   0.4162442119   2.8368546326
C   -0.1589213632   2.0915546121   3.3511941675
C   -5.8294395035  -1.3044299710   0.8193937548
H    4.2738267523   0.5869095013  -2.6310048678
H    1.6387510694  -3.5577040746  -2.0510252942
H    4.4033107826  -1.2195316992  -4.3245869951
H    3.0731179725  -3.2858998918  -4.0021188298
H    1.3766386462  -3.7118771230   0.2239493009
H   -0.0782376645  -3.0940119630  -0.5669504300
H   -0.0197439091   1.3495996138   0.5968792169
H   -2.1839068274  -0.2947580446  -1.5035408079
H   -0.7391475655  -1.9317771126   1.5498994072
H   -0.4841289630  -3.6510707024   1.8136031072
H    0.7441830647  -2.4971952319   2.3280185388
H   -3.8162113779   0.4660381947   3.8069279889
H    0.5588346235   1.3259980144   3.0550632305
H   -0.1942914466   2.8833235650   2.6029081561
H    0.1587811056   2.5183666106   4.2980642350
H   -6.7861798729  -1.6411889974   1.2082443843
H   -6.0017347951  -0.5950611669   0.0107777106
H   -5.2765668342  -2.1617037841   0.4374854393
*