! 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   -3.1051979309  -0.3729751938   0.7932012345
O   -1.2743825073   1.4108636550  -1.9727172727
N   -2.1682218514  -0.2009981422  -0.6073033743
C    1.7737725227  -1.6603129367   0.8587631933
C    0.6740526880  -1.0041153952   0.0321170955
C    2.8616752451  -0.6952144798   1.3190963822
C   -0.4489596784  -1.9713193366  -0.3128693147
C    3.6855675168  -0.0950310052   0.1859790795
C   -1.5286203602  -1.3660227371  -1.1962058140
C    4.8226488080   0.7905921044   0.6785363533
C    5.6414104970   1.3861904086  -0.4562677018
C   -1.9579487075   1.0952255154  -1.0006715382
C   -2.6749256590   1.9790302033  -0.0966777067
C   -3.3104034577   1.3237287091   0.8875511975
H    2.2288195888  -2.4727224424   0.2816288963
H    1.3219305219  -2.1307914943   1.7377802765
H    1.0883894882  -0.5944837703  -0.8937967016
H    0.2727830360  -0.1519291529   0.5913377181
H    3.5335473132  -1.2205971441   2.0051345500
H    2.4048305431   0.1110896834   1.9036335440
H   -0.8941419667  -2.3702614297   0.6046081521
H   -0.0467022930  -2.8349469114  -0.8493927718
H    3.0421286264   0.4907009862  -0.4781302632
H    4.0970455893  -0.9039169772  -0.4285958831
H   -2.2935431509  -2.1076144770  -1.4327690578
H   -1.1050068703  -1.0362355922  -2.1440180712
H    4.4136747702   1.5959481779   1.2965446299
H    5.4771314484   0.2087452559   1.3348107267
H    6.0905832170   0.6051701607  -1.0728677465
H    5.0232242894   2.0040020950  -1.1105446761
H    6.4513007210   2.0139846396  -0.0821620203
H   -2.6764008022   3.0511623137  -0.2192859800
H   -3.9089839883   1.7423088963   1.6831460985
*