! 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   -1.5476600964  -1.5096861806   0.0039066182
O   -0.2656206082  -0.8683019891   0.8072219074
O   -1.5814804528  -2.8372760254   0.5664255021
O   -1.3456099622  -1.3151664153  -1.4107894868
N    1.8883950872   2.3354630194  -0.3723844480
N   -0.1760929652   1.2005926660  -0.1753244939
N   -2.8903302525  -0.7368603553   0.4860367842
N   -0.0216952379   3.2650925885  -1.2005119965
C    2.5718013605  -1.0868464700   1.0603265612
C    3.2820939562  -1.8859247366  -0.0405214045
C    1.8478440754   0.1207983683   0.5351532226
C    2.3480678168  -2.5900946399  -1.0193662208
C    2.5149054051   1.2995077490   0.1639791040
C    0.4752939047   0.1897938296   0.3447380282
C    1.6399284785  -3.7950775004  -0.4184116986
C    0.5689414706   2.2387853320  -0.5599260974
C    3.9908493828   1.4485805578   0.3455889620
C   -1.4504504948   3.4675110074  -1.2778565477
C   -3.3162339803   0.4838252189  -0.1873928005
C   -3.1673108161  -0.7456283837   1.9208640686
C   -2.0621827792   4.0229484683  -0.0025308058
H    1.8873915199  -1.7370553718   1.6054180356
H    3.3158395866  -0.7702822376   1.7947721664
H    3.9282646833  -2.6298121052   0.4352725654
H    3.9503374932  -1.2207590592  -0.5928725799
H    1.6142069866  -1.8810662468  -1.4143823766
H    2.9303613661  -2.9190410022  -1.8837082507
H    1.0635748635  -3.5375086272   0.4693485744
H    0.9495425873  -4.2465515267  -1.1317658076
H    2.3611172612  -4.5615886930  -0.1282422125
H    4.3410607409   1.0066252074   1.2772308708
H    4.2697929982   2.4995816983   0.3316616833
H    4.5304382724   0.9556105466  -0.4654788854
H    0.5616933338   4.0751312242  -1.3343850289
H   -1.6314055806   4.1557875435  -2.1026062217
H   -1.9257587513   2.5281904280  -1.5543411884
H   -2.8581748799   1.3688284699   0.2495979336
H   -4.3965728198   0.5525424314  -0.0751404116
H   -3.0942645140   0.4461495213  -1.2482247335
H   -2.6138439697   0.0343376452   2.4472196651
H   -4.2313633651  -0.5645085103   2.0541378728
H   -2.9405775482  -1.7099737777   2.3652105317
H   -3.1412088994   4.1338131771  -0.1166406995
H   -1.6496902572   5.0043726503   0.2347138874
H   -1.8800404943   3.3671759962   0.8497099087
*