! 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   -2.5554848064  -0.3360083128   1.1227651334
O   -1.5991241139   0.9364403038  -2.2851812694
N   -2.0069141668  -0.4003704230  -0.4762051153
C    1.0502368236  -0.2012503615   0.5555611201
C    0.8424391281  -1.6164276968   0.0175267831
C    2.1691985060  -0.1148014012   1.5943466188
C   -0.0149424298  -1.7290202687  -1.2414128846
C    3.5841553262  -0.2711179046   1.0402834774
C   -1.5226376428  -1.6462803787  -1.0540299932
C    4.0257810268   0.8776607622   0.1409607641
C    5.4612007771   0.7284930057  -0.3398493229
C   -1.9679871154   0.8061623567  -1.1185116546
C   -2.4350085805   1.8370893485  -0.2074389528
C   -2.7703749555   1.3575549398   1.0017798331
H    0.1319566352   0.1656335344   1.0182754282
H    1.2550058382   0.4798641149  -0.2767306265
H    0.4316308402  -2.2532662598   0.8090652156
H    1.8193137897  -2.0448363062  -0.2236402639
H    1.9960795132  -0.8764945115   2.3615953450
H    2.1035414831   0.8478108109   2.1110487773
H    0.1616064502  -2.7037342161  -1.7030574813
H    0.3084360913  -0.9880133481  -1.9755288363
H    3.6785210455  -1.2157172101   0.4942188278
H    4.2820311489  -0.3471757392   1.8801714737
H   -1.8638187939  -2.4610277348  -0.4142307014
H   -2.0207958655  -1.7858687792  -2.0143853251
H    3.3634070805   0.9534735572  -0.7257038117
H    3.9186368256   1.8208598919   0.6860623223
H    6.1589772976   0.6874909293   0.4988531126
H    5.5925060169  -0.1875974720  -0.9192675340
H    5.7605287769   1.5633488750  -0.9751835636
H   -2.5002647122   2.8754592566  -0.4943329218
H   -3.1512766132   1.9077619729   1.8500127297
*