! 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   -2.6631946772   0.1406815123   1.0794417316
O   -1.4744887966   0.6981839696  -2.4520843259
N   -2.1504229666  -0.2685049658  -0.4850780285
C    1.8328412034  -1.9858465870   0.4868798014
C    0.6501469255  -1.4006864440  -0.2770499136
C    3.1599594813  -1.2807340486   0.2219005409
C   -0.6317358831  -2.1855935692  -0.0388235676
C    3.2027681399   0.1729991861   0.6776291053
C   -1.8365731779  -1.6523593496  -0.7995538956
C    4.5678507292   0.8188196652   0.4754864008
C    4.6062757020   2.2709747744   0.9264948785
C   -1.8936119353   0.8019002304  -1.3015096847
C   -2.2079368931   2.0249055688  -0.5801716648
C   -2.6138612397   1.8047717029   0.6800170007
H    1.9363541796  -3.0427717267   0.2224782201
H    1.6171300884  -1.9617115825   1.5605108999
H    0.8766858129  -1.3879979668  -1.3482948880
H    0.5017486133  -0.3578295731   0.0176259063
H    3.3903934752  -1.3334795396  -0.8475753928
H    3.9571882270  -1.8323578087   0.7300768548
H   -0.8535788134  -2.2191987993   1.0326690117
H   -0.4944818178  -3.2247719207  -0.3494038498
H    2.9296974229   0.2278020993   1.7374341929
H    2.4517277361   0.7598026269   0.1398171799
H   -2.7157232726  -2.2672907678  -0.5998982428
H   -1.6601869416  -1.6910482939  -1.8736829434
H    5.3246131539   0.2461634303   1.0201605429
H    4.8434262486   0.7575667517  -0.5817088438
H    3.8833876808   2.8755269787   0.3756821826
H    4.3690093676   2.3622817338   1.9880169108
H    5.5908195570   2.7136503985   0.7709334122
H   -2.1082405219   3.0010179133  -1.0287937770
H   -2.9011915120   2.5375840782   1.4190818278
*