! 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   -2.3442752733  -1.6032967967  -0.3017871738
O   -1.3864645606   0.7929464443   1.1045163145
O   -2.1737958205  -2.1753120244   1.0222405174
O   -3.0162101736  -2.3849151156  -1.3206411345
O    1.4902523332   1.5553168291   1.1105879245
O   -1.3248865939  -0.0992019061  -2.6485658975
O    2.7079338574  -2.0002470485   1.7711690378
O    5.1229539645   0.7542035044  -0.7274099020
N   -0.7855521742  -1.2902862097  -0.7926972080
N    0.8260414234  -0.0936257161  -1.9577419411
N    2.9910478879   0.3384424041  -1.4091337420
N    1.7296499384  -1.1473026118  -0.0967261416
N    3.9356414143  -0.6305878775   0.5272007893
C   -3.1474392035  -0.0400459660  -0.1896235529
C   -2.6025725611   0.9911433285   0.5907366315
C   -4.3822201321   0.0992508365  -0.8090021072
C   -3.3498562991   2.1554476693   0.7546581965
C   -0.8088488506   1.8055196039   1.9248576310
C   -5.1083849162   1.2650591042  -0.6449315374
C   -4.5877702021   2.2801738551   0.1432600898
C    0.6276929020   1.4408202727   2.2146403925
C   -0.4964852419  -0.4773020576  -1.8482970083
C    1.8777707988  -0.3107449825  -1.1119174705
C    1.8436137130   2.8809631977   0.7954765600
C    2.7804993212  -1.2393855049   0.7036827189
C    3.9749406839   0.1427670742  -0.5473938235
C    1.4897808811  -2.6912924135   2.0503572990
C    5.2809396958   1.6263599588  -1.8465858574
H   -4.7814349852  -0.7012335319  -1.4151392611
H   -2.9830496033   2.9727186535   1.3584453934
H   -0.0248962569  -1.4870164649  -0.1271023200
H   -1.3572059066   1.8766398225   2.8683436910
H   -0.8658391857   2.7790543127   1.4302260007
H   -6.0709311623   1.3744329218  -1.1233244143
H   -5.1486768150   3.1936583116   0.2875788672
H    0.9628839003   2.0768100178   3.0436978366
H    0.6832955449   0.4079612669   2.5667594759
H    1.0148502014   0.5276679461  -2.7341687662
H    2.5980935643   2.8482251948   0.0105439755
H    1.0017309574   3.4721949844   0.4208111588
H    2.2703627596   3.4056103872   1.6578214410
H    1.6740452974  -3.2528811422   2.9610898362
H    1.2283107262  -3.3832575413   1.2507676462
H    0.6659567746  -1.9988262254   2.2256603588
H    6.2935581571   2.0117871399  -1.7744983996
H    4.5773601328   2.4572398320  -1.8095846506
H    5.1643365592   1.0935265446  -2.7889346932
*