! 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    4.0309856785   0.4985523876  -0.0009204794
N   -0.6336100736  -1.0810147751   0.0008693895
N   -0.5817508807   1.1424864461   0.0012600211
N    2.1835154585  -1.2535922363   0.0005127880
C   -1.9411170851  -0.6841009587   0.0004947279
C   -1.8872583252   0.7203726981   0.0007400259
C    0.1260928642   0.0438475717   0.0011278325
C    1.5736594905  -0.0283231228   0.0006393941
C   -3.1391421365  -1.3884058036  -0.0003879196
C   -3.0700686641   1.4596821584   0.0001228159
C   -4.3004871898  -0.6362194248  -0.0010432931
C   -4.2668495739   0.7672333732  -0.0007972061
C    2.4153715318   1.0424226731  -0.0000003686
C    3.4677416501  -1.1256777623  -0.0000406406
H   -3.1660870839  -2.4698932775  -0.0006407442
H   -3.0479567531   2.5418491448   0.0000768564
H   -5.2573651942  -1.1412320640  -0.0022436950
H   -5.1997735666   1.3153893211  -0.0020231460
H    4.1598451769  -1.9555633373  -0.0005172421
H   -0.2802878456  -2.0257289852   0.0003081193
H    2.1649124278   2.0916125258  -0.0000296329
*