! 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   -2.0480061615   1.4553727036  -1.0984917868
O   -3.5489068658  -1.4803777456   0.7134601124
N   -2.3162648177  -0.1663292837  -0.6949709384
C    1.9887570308  -1.1123311967   0.3646805662
C    0.7521247536  -0.6018307320  -0.3640825283
C    3.0956117293  -0.0707377480   0.4647127693
C   -0.3303261379  -1.6650185773  -0.4901152609
C    4.3162731545  -0.5734133700   1.2259996807
C   -1.5421716318  -1.2385513148  -1.3028472394
C    5.4256134569   0.4615494454   1.3887694398
C    6.0611749701   0.9001769274   0.0771057463
C   -3.2501458815  -0.3661073448   0.2856864029
C   -3.7907083865   0.9210111592   0.6866698870
C   -3.2354983491   1.9520440591   0.0288658483
H    2.3723205608  -1.9999409770  -0.1499044730
H    1.7054488332  -1.4429649454   1.3697400752
H    1.0373728000  -0.2540162207  -1.3630245757
H    0.3650031240   0.2733218817   0.1665434215
H    2.7071832811   0.8269907287   0.9587210866
H    3.3815108715   0.2387541186  -0.5453228183
H   -0.6535734196  -1.9943764014   0.5010040511
H    0.0851613185  -2.5473778871  -0.9855243853
H    4.7206802560  -1.4584525171   0.7220473845
H    3.9983836786  -0.9104252789   2.2177958262
H   -2.2186202085  -2.0812483936  -1.4449274999
H   -1.2400884407  -0.9149918567  -2.3002767218
H    5.0306990783   1.3363418124   1.9146416500
H    6.2018051505   0.0463288240   2.0371870232
H    5.3519927073   1.4126954360  -0.5738803570
H    6.8908806292   1.5866956861   0.2511788160
H    6.4549149953   0.0445342924  -0.4754490251
H   -4.5567163631   1.0167823370   1.4406825536
H   -3.4563395111   3.0033911527   0.1401086900
*