! 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    1.6577938353  -1.5427997223  -0.5146897658
O    3.7681541151   0.6606100427  -0.0002660434
O   -0.2381561562   1.8315561203  -0.6039002995
N   -0.8862404897  -0.2222902916   0.1153975593
C    3.2657974230  -1.7104189876   0.2765695191
C    4.1946634085  -0.6665891108  -0.2896751220
C    1.4394151982   0.1941793187  -0.2328276775
C    2.4786961877   1.0301390274  -0.0022349451
C    0.0465473576   0.6920013119  -0.2603454904
C    2.3735660873   2.4852967052   0.3318528041
C   -2.2811997474  -0.1284194218   0.0728959629
C   -2.9932022218   1.0598807775  -0.0957663993
C   -2.9871749513  -1.3246622472   0.2288331123
C   -4.3820087225   1.0299524118  -0.1165238638
C   -4.3704198641  -1.3378974623   0.2100949279
C   -5.0810854365  -0.1576150055   0.0333322088
H    3.6452045249  -2.7030273108   0.0380951644
H    3.1730922526  -1.6272613370   1.3597004305
H    5.1834890852  -0.7538706596   0.1598902902
H    4.2978628369  -0.7918630315  -1.3688869120
H    2.3235266143   3.0909812406  -0.5729401491
H    3.2592153632   2.7914583358   0.8859971350
H    1.5006034534   2.7159953255   0.9338321032
H   -0.5335380454  -1.1172968084   0.4265716423
H   -2.4865057801   2.0041513434  -0.2023937213
H   -2.4456415787  -2.2539141676   0.3623244484
H   -4.9194856656   1.9600907333  -0.2475034918
H   -4.8926938593  -2.2776801115   0.3312488204
H   -6.1625002588  -0.1649200898   0.0162877754
*