! 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   -1.5288702256   0.1507814828  -1.8663532418
O   -2.2236970950   0.3426026654   1.8254451185
N   -1.9423511972  -0.3964804654  -0.3196165970
C    1.1590753193  -0.9886576600   0.2707435797
C    0.4535001070  -2.3300592053   0.0850734423
C    2.6300393488  -1.0493984013  -0.1280244530
C   -0.9283594052  -2.4414275952   0.7267028373
C    3.3027391288   0.3157892607  -0.2218200214
C   -2.0852253785  -1.8184479264  -0.0423853477
C    3.2895402757   1.1145868998   1.0759199624
C    4.0702901212   2.4155312599   0.9671370735
C   -1.9535525001   0.5725335956   0.6477982944
C   -1.6118560167   1.8463951192   0.0389159611
C   -1.3643883772   1.7509187852  -1.2776898622
H    1.0666337785  -0.6790706425   1.3160099069
H    0.6740301961  -0.2080377746  -0.3203302504
H    1.0849022348  -3.1062847982   0.5278267271
H    0.3934759450  -2.5724951150  -0.9815700920
H    2.7158834252  -1.5502583568  -1.0979467441
H    3.1732312996  -1.6790456967   0.5851418756
H   -0.8975851046  -2.0354029953   1.7399659416
H   -1.1882257988  -3.4973459135   0.8352643743
H    2.8163034567   0.9030376043  -1.0085397301
H    4.3396285963   0.1800754866  -0.5452601847
H   -3.0161763295  -1.9618256843   0.5077261443
H   -2.2154694182  -2.3284064386  -0.9975896889
H    2.2589431043   1.3378090383   1.3649601917
H    3.7058741649   0.5034594899   1.8830112634
H    3.6683415077   3.0537947998   0.1776759343
H    4.0351033307   2.9842690375   1.8972015165
H    5.1205987447   2.2297104815   0.7343631958
H   -1.5653616644   2.7630803587   0.6068789144
H   -1.0983760954   2.5430890395  -1.9618503475
*