! 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   -1.9263467609  -1.6073054258   0.5559385080
S   -3.6685133838   2.2147879113  -0.2256084479
O   -1.7829532916  -1.6709029161   1.9939074683
O   -2.5427981531  -2.7180924692  -0.1385642614
O   -1.4798093225   2.9702503565   1.3494614569
O   -1.0279395666  -1.1779200462  -2.2007249307
O   -0.5446090336   0.9703642022   1.7388543138
O    5.5900315109   0.0313456907  -1.3069408502
N   -0.3900305561  -1.3807865518  -0.0305937184
N    1.1460939154  -0.8540045334  -1.6957747682
N    2.1622998323  -0.9046724762   0.3946356216
N    3.3703827595  -0.4025081594  -1.5587066392
N    4.4543968943  -0.4436485322   0.5387228126
C   -2.8104528859  -0.1563257614   0.0764174231
C   -2.5182977891   1.1370218590   0.4404276378
C   -3.9599643824  -0.2666448877  -0.7367076671
C   -4.5243478833   0.9508251424  -0.9719520538
C   -0.1582499325  -1.1457629770  -1.3572521576
C   -1.4049873129   1.6559675988   1.2474066137
C    2.2584811936  -0.7200310207  -0.9099327260
C    3.2954757901  -0.7524787556   1.0847277102
C    4.4288337592  -0.2800898013  -0.7833881076
C    3.2181562684  -0.9630356606   2.5516247944
C   -0.4570814214   3.6369189445   2.0962510589
C    5.6838659009   0.2463544409  -2.7160451415
H   -4.3510852460  -1.1914923079  -1.1298094198
H    0.3856304680  -1.2283128421   0.6317004006
H   -5.4073308376   1.1562943720  -1.5574893067
H    4.1451838200  -0.6864337244   3.0448219403
H    2.3953186684  -0.3872493153   2.9746707922
H    3.0122425408  -2.0146089685   2.7591988267
H    0.5242658366   3.4707596295   1.6535492175
H   -0.7004696933   4.6937467461   2.0506908338
H   -0.4527258661   3.3104591564   3.1354587124
H    5.0586051779   1.0794452264  -3.0340164738
H    5.4127525400  -0.6479300306  -3.2750178381
H    6.7257711121   0.4865754279  -2.9050310384
H    1.2896129330  -0.6932167187  -2.6847932804
*