! 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   -1.0279330537   1.2214060436  -1.1868440356
O   -3.0117369528  -1.0711589068   1.0484151656
N   -1.7748156658  -0.2131141980  -0.6828857840
C    0.9176732260  -1.0735338510   1.0030911085
C    0.3321245440  -2.2600978334   0.2353865009
C    2.2594775676  -0.5931223644   0.4644172293
C   -0.0893820692  -1.9892938189  -1.2112255233
C    2.8100714142   0.5978333501   1.2394505747
C   -1.5036903391  -1.4552972179  -1.3867669701
C    4.2339480498   0.9886305043   0.8553728754
C    4.3940804632   1.4035440606  -0.6004485372
C   -2.4457018993  -0.1216445508   0.5098149126
C   -2.3635847650   1.2487146936   0.9873531429
C   -1.6388681852   2.0440057047   0.1844188148
H    1.0481726984  -1.3742181303   2.0471384354
H    0.2190994056  -0.2326703112   1.0282179439
H   -0.5219865587  -2.6648464634   0.7858866252
H    1.0831382008  -3.0553765423   0.2317964725
H    2.1627062963  -0.3260965826  -0.5915683599
H    2.9791625991  -1.4192687034   0.5041659059
H   -0.0565014991  -2.9226331076  -1.7780208293
H    0.6246251548  -1.3256118773  -1.7070824049
H    2.7844944282   0.3707301449   2.3100140268
H    2.1450799382   1.4568341134   1.0960276387
H   -2.2288182780  -2.1794220744  -1.0182153203
H   -1.7201415966  -1.3095918572  -2.4462751102
H    4.5603806702   1.8100798269   1.4986806488
H    4.9063798199   0.1523768039   1.0705545381
H    3.7148975302   2.2195458718  -0.8565543823
H    5.4096306317   1.7466083016  -0.8030379452
H    4.1901436664   0.5802322925  -1.2862594570
H   -2.8367886587   1.5694133408   1.9028052226
H   -1.4281283572   3.0958682017   0.3105275652
*