! 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   -3.0688000107   0.1975896677   1.0433448524
O   -2.3263424786   0.7125203942  -2.6126905616
N   -2.3795855571  -0.1085531741  -0.4730720617
C    2.2589883009  -1.7458704263   0.5993532269
C    0.9563549063  -1.9429905367  -0.1692005234
C    3.0548123546  -0.5155671631   0.1809532173
C   -0.0672252060  -0.8385123684   0.0640028736
C    4.3972425992  -0.4086515196   0.8924222747
C   -1.3856505833  -1.1572177642  -0.6228538649
C    5.2014106925   0.8186783543   0.4848090513
C    6.5416159243   0.9112787323   1.1976524696
C   -2.7502771671   0.7675924005  -1.4595666563
C   -3.7008222496   1.7170611562  -0.9065375731
C   -3.9413766693   1.5218750824   0.3998487013
H    2.8829928032  -2.6343543000   0.4625249048
H    2.0415072052  -1.6921669545   1.6716523239
H    0.5169199997  -2.9027684304   0.1195917443
H    1.1730947776  -2.0178146643  -1.2400769295
H    2.4756295839   0.3923618824   0.3763628477
H    3.2188022235  -0.5434431661  -0.9022616470
H    0.3057021200   0.1187434420  -0.3082927982
H   -0.2277931845  -0.7172637286   1.1404445525
H    4.9871562244  -1.3099142373   0.6921665412
H    4.2335734665  -0.3900139669   1.9757038423
H   -1.8016851539  -2.0941616165  -0.2462290350
H   -1.2362126869  -1.2893093260  -1.6940062203
H    5.3636907401   0.8022813501  -0.5973444008
H    4.6155998938   1.7201251069   0.6890070376
H    6.4121306444   0.9657046870   2.2803854623
H    7.1643138631   0.0397203752   0.9862153182
H    7.1009920543   1.7957175848   0.8897130289
H   -4.1498988323   2.4971156450  -1.5017919032
H   -4.5999290603   2.0864638801   1.0432692624
*