! 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   -1.7521552549  -0.3713478307  -2.0135180118
S   -3.6300431374   1.2628061425   1.4634080701
O   -2.4607554463  -1.4768731585  -2.6230815206
O   -1.3772460598   0.7627720521  -2.8307178122
O   -1.1201820590   2.4898529932   1.6311690507
O   -1.3086547498  -2.4177365948   0.0441046159
O   -0.1692984862   1.7370376172  -0.2535880078
O    5.0286508234  -0.8785943951   1.8896178678
N   -0.3297786782  -0.9242887330  -1.3582829843
N    0.8641954084  -1.9098987425   0.3780830913
N    2.2023263237  -0.4310729423  -0.8184773072
N    2.9391160123  -1.4314966813   1.1770064358
N    4.3317531127   0.0783850233   0.0129843401
C   -2.7226369477   0.1483829337  -0.6308722570
C   -2.3597618890   1.0571211725   0.3356072327
C   -4.0238819183  -0.3713688442  -0.4544540826
C   -4.6295057374   0.1595861290   0.6447417113
C   -0.3288711242  -1.7939116428  -0.3020166381
C   -1.0966208429   1.7868468484   0.5137777045
C    2.0395552114  -1.2228618659   0.2255773752
C    3.3706133679   0.2130897680  -0.8790377465
C    4.0606961427  -0.7585480310   1.0137436678
C    3.5775640763   1.1176709981  -2.0368686760
C    0.0546725845   3.2338416180   1.9711892988
C    4.8431801916  -1.7330856636   3.0201882154
H   -4.4913615908  -1.0985908047  -1.0990272554
H    0.5290766427  -0.3771486382  -1.5253512235
H   -5.6216420157  -0.0575285388   1.0102085781
H    4.4972302639   1.6867848415  -1.9399633827
H    3.6241701033   0.5307966792  -2.9556709331
H    2.7364519514   1.8033753717  -2.1381161226
H    0.2760635290   3.9878120484   1.2174182180
H   -0.1675797957   3.7203995502   2.9156122291
H    0.9127185290   2.5747349923   2.0963906564
H    4.6806569833  -2.7661314651   2.7169924684
H    4.0122066236  -1.3979856047   3.6389611287
H    5.7656502871  -1.6657949867   3.5891465933
H    0.8255230037  -2.5330719061   1.1750501458
*