! 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   -1.9067151582   1.6707480143  -1.0302369352
O   -3.7069827303  -1.2346983588   0.5516297949
N   -2.2099493781   0.0591503400  -0.6055665192
C    2.2714087424  -1.9818588141   0.4675982575
C    0.9927595683  -2.0054335854  -0.3641284720
C    3.1798031669  -0.7892130227   0.1900073200
C    0.0171809544  -0.8828579061  -0.0330727557
C    4.4796181756  -0.8463836478   0.9837968691
C   -1.2280686565  -0.9691122178  -0.9016821251
C    5.4581087725   0.2815173854   0.6690903256
C    4.9471117116   1.6671526458   1.0375664351
C   -3.3516586253  -0.1366211189   0.1270355497
C   -4.0268418039   1.1401750683   0.2874123473
C   -3.3613786698   2.1626256625  -0.2731793428
H    2.8301163530  -2.9022073800   0.2718567188
H    2.0136130434  -2.0059836888   1.5319764540
H    0.4885843295  -2.9648222611  -0.2142872719
H    1.2530130809  -1.9622345648  -1.4271611753
H    2.6518490272   0.1412463552   0.4158215895
H    3.4113182570  -0.7554005060  -0.8808525475
H    0.4951803154   0.0900524396  -0.1775144540
H   -0.2701925440  -0.9398225428   1.0207288685
H    4.9717797790  -1.8045595414   0.7882122567
H    4.2507894002  -0.8376777218   2.0553780626
H   -1.7293622982  -1.9262173110  -0.7603822510
H   -0.9639451807  -0.9069124252  -1.9595921055
H    6.3939769124   0.0950249874   1.2028042135
H    5.7083605638   0.2556520963  -0.3961539469
H    4.0631218575   1.9467200728   0.4628865183
H    4.6816649831   1.7209389390   2.0955027201
H    5.7056381120   2.4287307648   0.8515006213
H   -4.9637904955   1.2347558884   0.8143318256
H   -3.6432749832   3.2050445517  -0.2921576750
*