! 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    2.2983382609  -1.8033379739   0.2461941324
O    3.3142977735   1.0836274850  -0.4370076476
O   -0.2983297766  -1.1124803351   1.5572654273
N   -0.8471688582   0.2023461212  -0.2181148835
C    3.9860027511  -1.1944398856   0.0655528235
C    4.0222634682  -0.0481365578  -0.9178076429
C    1.4556073260  -0.2513821023   0.2239891698
C    2.0348907900   0.9373583395  -0.0302690933
C    0.0301322074  -0.4128245376   0.6112355893
C    1.3974881781   2.2755592138   0.1576857095
C   -2.2454425089   0.2324468765  -0.1543744349
C   -2.9137696082   0.6294611402  -1.3144929092
C   -2.9861593061  -0.0822833707   0.9847475212
C   -4.2953296769   0.7026467316  -1.3418174333
C   -4.3721449927  -0.0059126014   0.9414515850
C   -5.0367803031   0.3804539282  -0.2126584143
H    4.5864061149  -2.0217177438  -0.3112302413
H    4.3916721748  -0.8911131890   1.0310583834
H    5.0473173839   0.2888722277  -1.0654685371
H    3.6201473825  -0.3588519724  -1.8852781173
H    0.4670022721   2.2293633359   0.7147929871
H    1.2029622237   2.7600929621  -0.8013186772
H    2.0781176638   2.9229776006   0.7133669350
H   -0.4506814704   0.6218215204  -1.0460272970
H   -2.3450934106   0.8784017684  -2.2027174265
H   -2.5044712164  -0.3770196066   1.9025953886
H   -4.7917929875   1.0099143542  -2.2526716211
H   -4.9353794131  -0.2516229121   1.8321547103
H   -6.1169044416   0.4328822356  -0.2322599163
*