! 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   -1.2335269073   0.7591865085  -1.5712769181
O   -1.8276459227  -0.1080543954   2.0455459351
N   -1.5509143205  -0.2254424541  -0.2291104729
C    1.1361556255  -1.7877119587   0.9431405095
C    0.4562646333  -2.8727488985   0.1140317684
C    1.8933625615  -0.7383913678   0.1392656973
C   -0.5566221609  -2.4227733689  -0.9364635464
C    2.5429637350   0.3138150919   1.0302773891
C   -1.7696552453  -1.6508457807  -0.4229724199
C    3.3748567817   1.3490166040   0.2794464510
C    2.5669889905   2.2298633296  -0.6633202182
C   -1.5870443826   0.4377085617   0.9699590253
C   -1.3068731278   1.8444803113   0.7354927737
C   -1.1066393966   2.1340590455  -0.5592148531
H    1.8375763916  -2.2797375542   1.6247651329
H    0.4046314809  -1.2979981668   1.5902466978
H   -0.0423482540  -3.5686252128   0.7955440844
H    1.2243735435  -3.4587370252  -0.3998263327
H    1.2180489020  -0.2488615125  -0.5665086306
H    2.6627370106  -1.2285932154  -0.4685465656
H   -0.9461582998  -3.3189749864  -1.4245316863
H   -0.0631878724  -1.8572305199  -1.7328300611
H    3.1801397610  -0.1877728724   1.7656845684
H    1.7631276624   0.8265917596   1.6052641222
H   -2.1065858455  -2.0470416180   0.5345863565
H   -2.6023506635  -1.7728879627  -1.1179776198
H    3.8845469293   1.9861566000   1.0073313779
H    4.1659581159   0.8410841899  -0.2809757171
H    1.7782560167   2.7603792589  -0.1261972588
H    3.2002924552   2.9786443222  -1.1414607095
H    2.0902195862   1.6559515908  -1.4590076544
H   -1.2747638727   2.5657424934   1.5377357835
H   -0.8922770801   3.0969623462  -0.9985573523
*