! 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   -1.7247013630   0.7110277815   1.2954153771
O   -2.3626049027   1.9539091060   1.6873599513
O   -1.8633611517  -0.4394360647   2.1721095403
O   -2.1908720709  -3.1418229054   0.2337074869
O    0.3483525064   1.8219325114   3.0388685627
O   -0.2441000138  -2.0370463499   0.2093931873
N   -0.1247257974   1.0157200128   0.9641626078
N    2.0437147005   1.5493468659   1.5696189741
N    3.9891889498   1.2624269336   0.4099671653
N    1.9364565586   0.5872459965  -0.5432346960
C   -2.2668845605   0.2637932871  -0.3290813000
C   -2.1611581062  -1.0499393338  -0.7865190414
C   -2.8765356767   1.2457209251  -1.0939065033
C   -2.6817734631  -1.3616890112  -2.0343201257
C   -3.3716997670   0.9214261305  -2.3478355035
C   -3.2745432036  -0.3783527163  -2.8143771635
C    0.7220634579   1.4805277749   1.9336915012
C   -1.4196769567  -2.1122676920  -0.0427513636
C    2.6724449308   1.1108154459   0.4178020928
C    4.6262513351   0.8332035260  -0.6734284366
C    2.5648822627   0.1397982238  -1.6346380419
C    3.9364748263   0.2505754767  -1.7355553554
C    6.1072296289   0.9847522570  -0.7265268741
C    1.7152373414  -0.4649499840  -2.6959379917
C   -1.5822396466  -4.2613393748   0.8925430278
H   -2.9738912901   2.2570994887  -0.7266364283
H   -2.6121000752  -2.3726096979  -2.4120256470
H   -3.8395376851   1.6868073945  -2.9504075087
H   -3.6659909197  -0.6357049551  -3.7885917904
H    2.6570733744   1.9092069034   2.2885941958
H    4.4630134833  -0.1029678593  -2.6104138961
H    6.3978629624   1.5841350135  -1.5900688077
H    6.4936115017   1.4577615954   0.1724656542
H    6.5843675742   0.0107521151  -0.8415810357
H    1.1161830368  -1.2769437495  -2.2821113959
H    1.0206857167   0.2768165014  -3.0927600422
H    2.3111567444  -0.8529093035  -3.5182547962
H   -0.8018975935  -4.7049084730   0.2749374770
H   -2.3790151178  -4.9825836163   1.0439140654
H   -1.1665734692  -3.9702325571   1.8567220739
H    0.3264439291   0.6240327447   0.1116449758
*