! 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    0.0029369055  -3.0388634027  -0.1352814568
O   -0.7492495719  -3.4623787604  -1.3166135985
O   -1.2273793018  -2.3965411062   0.8235757863
O   -0.5793866608   1.3525686226   0.9060910805
O    2.2974592772  -1.7063998945   1.0509279643
O   -0.8967220598   1.2747760453  -3.4416534463
O    1.9205971899   4.4869180731  -1.6245859077
N   -2.6007815431   0.3659496013   0.6628865892
N    0.7364697216  -1.6040087091  -0.5913028526
N   -0.3730251394  -2.7437775486   2.9155613873
N    2.2069836707   0.1574478949  -0.2229134033
N    0.6682290290   0.6830609661  -1.8837436855
N    2.0826771879   2.3141128055  -0.9326321714
C   -0.8404817185  -1.8889207219   2.0347614541
C   -0.9663494014  -0.5197733774   2.2494322620
C   -1.3790361030   0.4684167423   1.2014046127
C   -0.5419178512  -0.0420238219   3.4832551990
C   -0.0512958706  -0.9281727330   4.4259893418
C    0.0174120034  -2.2697438617   4.0927029077
C   -3.6284780534  -0.5527135409   1.1045607654
C   -3.0143655990   1.2685741451  -0.3922540191
C    1.7741405371  -1.0919540434   0.1415818734
C    1.6099614201   1.0879332623  -1.0492562736
C    0.0849163903   1.6191829255  -2.6221548397
C    1.5054756813   3.2326158566  -1.6931932477
C    0.4655746617   2.9484010856  -2.5707787788
C   -1.2888206512  -0.0930355791  -3.5127348727
C    2.9735330543   4.8194413207  -0.7225024762
H   -0.6006573231   1.0154313955   3.7041838597
H    0.3229855371  -1.0029726463  -1.3206792833
H    0.3999542643  -2.9937842329   4.8004826720
H   -3.3777491270  -1.0185945810   2.0525128202
H   -4.5570085857  -0.0008907534   1.2546762699
H   -3.8155505218  -1.3306387107   0.3642525529
H   -3.4405738454   0.7004347191  -1.2198893161
H   -2.1767111725   1.8524544784  -0.7573512333
H   -3.7792901444   1.9582014307  -0.0307619641
H    2.9439618335   0.5233450795   0.3651230817
H   -0.0062518372   3.7093006274  -3.1747193043
H   -0.4776780830  -0.7274955765  -3.8697614318
H   -2.1072352527  -0.1291147302  -4.2258224536
H   -1.6493302562  -0.4668834698  -2.5532376019
H    2.6996112708   4.6114030071   0.3111779186
H    3.1335873764   5.8873537690  -0.8413543966
H    3.8948485381   4.2911663239  -0.9651568472
H    0.2795509841  -0.5872169722   5.3960585452
*