! 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   -3.3365119878  -0.8317489562  -0.3022172988
O   -1.8541847305   2.6216405471  -0.0813601133
N   -2.2574161229   0.3825888822   0.1772392024
C    2.4160894963  -1.4098619068  -0.1639898440
C    1.3234780442  -0.8327459039   0.7273854062
C    3.6730877163  -1.8326407378   0.5918014765
C    0.0626194031  -0.4759256025  -0.0483529491
C    4.3900829649  -0.7092677320   1.3395347554
C   -1.0314998791   0.0365782026   0.8751790256
C    4.7892162111   0.4856393456   0.4777942552
C    5.6983158567   0.1254040599  -0.6882470364
C   -2.5550453187   1.6336296347  -0.2946112968
C   -3.7950898967   1.5645086215  -1.0485931974
C   -4.2958643524   0.3213166869  -1.1270521283
H    2.6719237510  -0.6832776526  -0.9421288402
H    2.0178580185  -2.2813602598  -0.6924920503
H    1.6902414956   0.0599241299   1.2432716696
H    1.0769251351  -1.5579620864   1.5104212898
H    4.3658664695  -2.3011263197  -0.1129739794
H    3.4091203693  -2.6154934965   1.3098087373
H   -0.2977009270  -1.3559929605  -0.5898585780
H    0.2893337351   0.2856229939  -0.7997119181
H    5.2888725735  -1.1244804365   1.8065193873
H    3.7650948205  -0.3571359719   2.1651380427
H   -0.7040495669   0.9318932278   1.4032440845
H   -1.2675773680  -0.7051875124   1.6403187239
H    3.8950356263   0.9910162698   0.1004922434
H    5.2947047324   1.2176642213   1.1131655322
H    6.5913747380  -0.4019625416  -0.3460618207
H    5.1979820909  -0.5167291393  -1.4148363783
H    6.0290720922   1.0176429857  -1.2215322898
H   -4.2449873668   2.4355826911  -1.5000301111
H   -5.1968622392   0.0016083348  -1.6292886798
*