! 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   -2.9625086824   0.8927593358   1.0094755964
O   -2.8038789640  -0.3153501203  -2.5546851787
N   -2.2577167448   0.4807286051  -0.4766240159
C    2.1405510210   0.2971843854   0.3757381009
C    1.3194748410  -0.8667955511  -0.1712964658
C    3.6462503915   0.1478911423   0.1619741319
C   -0.1807655237  -0.7533243240   0.0843467490
C    4.2866027013  -0.9708100506   0.9768809685
C   -0.8118855180   0.4448488155  -0.6118170935
C    5.7829653541  -1.1442564156   0.7271472141
C    6.6306125409   0.0481770648   1.1481873751
C   -3.1429635837   0.0611387634  -1.4346062048
C   -4.4900775996   0.1501420319  -0.8954733652
C   -4.5215019598   0.5680719785   0.3797355971
H    1.9347042061   0.4176488608   1.4450530350
H    1.8193778928   1.2276800706  -0.1001724376
H    1.6616448108  -1.8035181517   0.2741395939
H    1.4962090611  -0.9597977170  -1.2479533547
H    4.1238752382   1.0987076062   0.4123322343
H    3.8446508473  -0.0184338538  -0.9028099424
H   -0.3645465030  -0.6953036633   1.1617538599
H   -0.6750815849  -1.6613348685  -0.2693961301
H    3.7902737042  -1.9191689266   0.7551596788
H    4.1169633934  -0.7815801939   2.0426543524
H   -0.5985423474   0.4193575689  -1.6804328775
H   -0.4098315734   1.3860285228  -0.2351719529
H    6.1275894098  -2.0303756345   1.2666745510
H    5.9493627033  -1.3541417022  -0.3339325585
H    6.3956435384   0.9455598199   0.5747338791
H    6.4828266616   0.2842347466   2.2039839606
H    7.6926344297  -0.1554677986   1.0042583422
H   -5.3620821404  -0.1058961844  -1.4772819501
H   -5.3886490827   0.7138432608   1.0065119384
*