! 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   -1.2536337465   1.0106307533   0.9688002967
O   -2.7185547143  -0.2878134124  -2.2498178699
N   -1.8380797140  -0.1332743372  -0.1363940142
C    2.0878137826  -2.0778324987  -0.7085043921
C    0.6094337734  -1.7548157731  -0.9176664724
C    2.7951859102  -1.2233789540   0.3430606993
C   -0.2450311249  -1.9784012529   0.3227525431
C    2.7569333518   0.2722225826   0.0499169303
C   -1.6952287871  -1.5512218858   0.1506908723
C    3.5460910989   1.1206885105   1.0429700781
C    2.9659040718   1.1120586934   2.4508709405
C   -2.2860946732   0.3925686936  -1.3213685546
C   -2.1568296160   1.8396597940  -1.2688449933
C   -1.6252298079   2.2804201996  -0.1185472924
H    2.6073199465  -1.9631128621  -1.6645894327
H    2.1886780735  -3.1327305576  -0.4353292025
H    0.2218787375  -2.3768841187  -1.7295612399
H    0.5082196602  -0.7217492506  -1.2625021030
H    3.8399653018  -1.5444418117   0.4038214105
H    2.3695183634  -1.4239497871   1.3301096831
H    0.1835997712  -1.4634599049   1.1882721377
H   -0.2478465539  -3.0396817698   0.5846789934
H    1.7216449729   0.6274760719   0.0393355844
H    3.1456248313   0.4440102999  -0.9590495815
H   -2.2723549768  -1.7946513883   1.0441810681
H   -2.1583470960  -2.0813181436  -0.6800148570
H    4.5860119210   0.7804869059   1.0717769421
H    3.5754605535   2.1512479884   0.6795493519
H    3.0081614225   0.1233399634   2.9096428482
H    3.5074991625   1.7946746821   3.1071045146
H    1.9192290497   1.4249699561   2.4448522763
H   -2.4597218701   2.4743903601  -2.0877873152
H   -1.4241325265   3.3014316147   0.1708733497
*