! 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    4.1820108969   0.9647753174   0.4505807711
S    1.7251391397  -0.5466351966   0.8314249425
O    4.7186683913   0.0766619303   1.4627524881
O    4.9866741036   1.2574868679  -0.7203123356
O    1.9398875712  -0.0429216102   2.1652338900
O    1.8069493836  -1.9633626735   0.5610235749
O    0.3871766616   2.1118962705   0.6927058470
O   -5.9434677290   0.2155424775  -0.8838810745
O   -2.7294927194  -3.1286053637  -0.7661281025
N    2.7399582254   0.2977004836  -0.1822718551
N    0.2369544443  -0.1219235132   0.2681608199
N   -1.5996791307   1.2701159312   0.0275349603
N   -3.7664117447   0.7544163714  -0.4375654269
N   -2.1392660556  -0.9529706385  -0.3813999238
C    2.7010284547  -0.0545175647  -1.6082618638
C    3.6656724745   2.4825158339   1.1886291262
C   -0.2727812645   1.1527037110   0.3598097802
C   -2.5371450587   0.3039812846  -0.2781420857
C   -4.6869170847  -0.1583794984  -0.7180111204
C   -3.0739914890  -1.8574040730  -0.6601994404
C   -4.4006263575  -1.5125680906  -0.8443907316
C   -6.2843591576   1.5938677356  -0.7502243568
C   -1.3648992501  -3.4947072516  -0.5718762710
H    3.0245151019   0.7963209597  -2.1971151410
H    1.6710377851  -0.2561710704  -1.8917511408
H    3.3123246730  -0.9238653266  -1.8386227245
H    4.5697458919   2.9680673757   1.5551434518
H    3.1913282961   3.1029026315   0.4341726759
H    2.9902031937   2.2935925996   2.0158995994
H   -1.9599240799   2.2136795184   0.0881737552
H   -5.1614791727  -2.2453811671  -1.0683916768
H   -5.7831187132   2.2068633945  -1.4982633497
H   -7.3578127995   1.6449217545  -0.9083766031
H   -6.0509600104   1.9724898553   0.2439862715
H   -1.3285502639  -4.5725236539  -0.7000864474
H   -0.7148205258  -3.0304897128  -1.3135777914
H   -1.0223629809  -3.2499219011   0.4336266253
H   -0.4259699473  -0.8702893154  -0.0028160187
*