! 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   -0.9832135748   1.3633489187  -0.0178393061
O   -3.7788701022  -0.9168586969  -1.0895848103
N   -1.7346894284   0.0732480685  -0.8189809528
C    1.6603113577  -1.2161530548   0.1235716464
C    0.3183801160  -1.8625362132   0.4472630210
C    2.5317097135  -1.0316710907   1.3599307691
C   -0.5635659250  -2.1300062381  -0.7678443378
C    3.8995841521  -0.4161656350   1.0789856749
C   -0.9590618573  -0.9008484505  -1.5729676926
C    3.8548275267   1.0362721281   0.6175608771
C    5.2421946778   1.6307357454   0.4281167439
C   -3.0826764988  -0.0249041254  -0.6057928882
C   -3.5038638191   1.0733257078   0.2465989191
C   -2.4875344339   1.8683321830   0.6202411206
H    1.5060376278  -0.2470003595  -0.3603108261
H    2.1930807157  -1.8335998568  -0.6081126348
H   -0.2194374127  -1.2474127567   1.1754635222
H    0.4983610234  -2.8180531294   0.9484625886
H    2.6728619754  -2.0056246107   1.8386433550
H    1.9988663346  -0.4110963447   2.0888619985
H   -1.4689472613  -2.6548395449  -0.4546945064
H   -0.0423320862  -2.8024465234  -1.4553861624
H    4.4229240548  -1.0199655473   0.3291111464
H    4.5062824256  -0.4745512259   1.9883040614
H   -1.5621324277  -1.1973900243  -2.4308287662
H   -0.0836289927  -0.3936661012  -1.9794056294
H    3.2984734254   1.1181291719  -0.3199248277
H    3.3002480743   1.6290672722   1.3518091120
H    5.8101248383   1.0813124224  -0.3251331936
H    5.1923739264   2.6716122912   0.1056915278
H    5.8161592746   1.6014028127   1.3563283766
H   -4.5326526224   1.2167496954   0.5387579042
H   -2.5305471154   2.7456323818   1.2484733672
*