! 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   -1.7647675043   0.6372069930   1.1713443867
O   -2.4692268699   0.2748360229  -2.5077802647
N   -1.9842593114  -0.1498513210  -0.3129470941
C    2.1547400736  -1.9308620866  -0.3425991369
C    0.7481719387  -1.5995416620   0.1390226171
C    3.2308897741  -1.7481261457   0.7259072993
C   -0.3171133910  -1.9087033251  -0.9038340357
C    3.2882486256  -0.3615441692   1.3637328054
C   -1.7350720540  -1.5758413451  -0.4627504394
C    3.5051572381   0.7784510611   0.3763916759
C    3.6370340611   2.1281232799   1.0663878295
C   -2.2991878053   0.6777947891  -1.3585192756
C   -2.3932629856   2.0409647070  -0.8648282181
C   -2.1296606879   2.1446240590   0.4479030647
H    2.3863487941  -1.3180406845  -1.2193019223
H    2.1818003870  -2.9680147962  -0.6905200353
H    0.7027863409  -0.5417672196   0.4118781321
H    0.5305146674  -2.1599220726   1.0553486817
H    4.2060642013  -1.9784496502   0.2859595543
H    3.0745121996  -2.4895015999   1.5155474854
H   -0.2967336105  -2.9762550699  -1.1400557314
H   -0.0970282081  -1.3832960957  -1.8374470723
H    4.0992434864  -0.3521101545   2.0987469203
H    2.3731420437  -0.1739326564   1.9349226894
H   -1.9690466811  -2.0656317497   0.4837215386
H   -2.4557532196  -1.9500561866  -1.1890999195
H    4.4032977085   0.5797318102  -0.2167135324
H    2.6760181824   0.8213152266  -0.3355162245
H    2.7385125734   2.3697528696   1.6376907929
H    4.4789943872   2.1386832798   1.7612208327
H    3.7939086335   2.9335861842   0.3477946095
H   -2.6470387330   2.8713230867  -1.5059864139
H   -2.1286457762   3.0388238253   1.0536931763
*