! 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   -2.1940436846   0.7102849306   1.0611674433
O   -2.8491129619  -0.4629213703  -2.4585989276
N   -2.2841228699  -0.3770461042  -0.2365123565
C    2.0775989930  -1.0477584654  -0.7729564735
C    0.5678698334  -1.0412688911  -0.9964909925
C    2.5391228648  -0.1714840931   0.3862153510
C   -0.2171871431  -1.7054531232   0.1263693133
C    4.0550186286  -0.1212193708   0.5269047869
C   -1.7215247677  -1.7102753079  -0.0983949414
C    4.5224515737   0.7676125135   1.6722854817
C    6.0368739930   0.8177953660   1.8044369495
C   -2.7520115453   0.1644182531  -1.4057691230
C   -3.1047338136   1.5546775496  -1.1677302170
C   -2.8492668235   1.9562966291   0.0870147842
H    2.5683215316  -0.7050372884  -1.6889929860
H    2.4192681576  -2.0762422554  -0.6141344488
H    0.3392881458  -1.5535648462  -1.9357130484
H    0.2352240120  -0.0058747745  -1.1259741309
H    2.1071278004  -0.5277917651   1.3266198737
H    2.1544334534   0.8443666270   0.2422434484
H    0.0059507554  -1.2342211897   1.0878978673
H    0.0942922942  -2.7487472089   0.2271479848
H    4.4954267926   0.2356687046  -0.4106693867
H    4.4408839563  -1.1358001122   0.6751809639
H   -2.2272194313  -2.2252768243   0.7201986737
H   -1.9734862793  -2.2458704318  -1.0127534491
H    4.1354986755   1.7804593932   1.5244602550
H    4.0851805821   0.4107008143   2.6097875963
H    6.3469568009   1.4634983144   2.6271387868
H    6.4525076823  -0.1741876073   1.9916491044
H    6.5017174209   1.2009931068   0.8939583379
H   -3.5190467639   2.1843212136  -1.9400845883
H   -3.0157928187   2.9336329694   0.5153565846
*