! 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    0.4758637477  -2.6905623951  -1.2122160302
O   -0.7592846716  -3.1470842942  -1.8240876625
O    1.3914425351  -3.6570411472  -0.6425509390
O    0.4686879980   2.1100100337  -0.6513595260
O    0.0532344390   0.9567852771  -2.5072408694
O    1.8447020290  -1.6109631180   1.3111116808
O   -3.8515906259   0.4247963647  -0.3759938048
O   -2.6541781264   3.0760904578   3.2435754895
N   -0.0119303375  -1.6221714180  -0.0305424514
N    0.1449019712  -0.2285734970   1.8176584748
N   -1.8703861037   0.0715789723   0.7047142029
N   -1.2452618711   1.4221301536   2.5351256501
C    1.3451204693  -1.6632959128  -2.4101068468
C    2.3500303580  -0.7803860512  -1.7411098572
C    2.0572448263   0.5107494167  -1.2694884109
C    3.6065395764  -1.3190092607  -1.4923485657
C    3.0280620782   1.2103785065  -0.5534048524
C    4.5697221489  -0.6076293713  -0.7966259148
C    4.2761834149   0.6586460350  -0.3190717185
C    0.7607881407   1.1871227895  -1.5530188630
C    0.7431775735  -1.1942607271   1.0364799884
C   -1.0438687215   0.4491692944   1.6658143168
C   -3.0076892147   0.7502225934   0.5883253412
C   -2.3882195092   2.0831915430   2.4125386977
C   -3.3364105260   1.7912308162   1.4379222493
C   -0.6464320033   2.9632401869  -0.9156505039
C   -3.4876413211  -0.6094147264  -1.2887482847
C   -1.6997652066   3.4138640817   4.2481094533
H    0.5811130430  -1.1295655258  -2.9664840409
H    1.8243378944  -2.3759819246  -3.0843928359
H    3.8349937069  -2.3132559825  -1.8530491662
H   -0.9466652774  -1.1964356521  -0.1288664620
H    2.8218438060   2.2062251067  -0.1885842991
H    5.5432618872  -1.0458089484  -0.6238202964
H    5.0175754746   1.2237138479   0.2288264454
H    0.7229234021   0.0903293025   2.5840512642
H   -4.2577757346   2.3463385944   1.3426560723
H   -0.7779112761   3.5700632917  -0.0247325375
H   -0.4390767489   3.6142010202  -1.7649585772
H   -1.5574915421   2.4028260351  -1.1159404930
H   -3.3528191793  -1.5658339445  -0.7836113849
H   -4.3180901930  -0.6938561752  -1.9835927918
H   -2.5873165149  -0.3512008687  -1.8484181943
H   -0.7484716002   3.7190912449   3.8137051526
H   -2.1301446062   4.2513396709   4.7896012679
H   -1.5329772100   2.5881793291   4.9388184780
*