! 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   -1.6245789219  -1.4110954115   0.0727658717
O   -0.4023382993  -0.9367742425  -0.9183571946
O   -1.4142911050  -0.8314997227   1.3765281671
O   -1.5980049096  -2.8425101790  -0.1037311870
N    1.9041610137   2.3322604865  -0.3350468146
N   -0.2123549061   1.2805028971  -0.3813658096
N   -3.0120118124  -0.8555566764  -0.5600097566
N    0.0007621225   3.5122480859   0.1409183901
C    2.4259737412  -1.3233200048  -1.1109344890
C    3.0017375476  -2.0197675378   0.1270356636
C    1.7606538370  -0.0095663323  -0.8165614360
C    1.9606594374  -2.4267546902   1.1600128903
C    2.4825611806   1.1844020932  -0.6539980594
C    0.3929285624   0.1571944758  -0.6709884252
C    2.5774229705  -3.1558253392   2.3441740882
C    0.5754843959   2.3373395819  -0.1852659861
C    3.9644749407   1.2079317937  -0.8445654698
C   -1.3595532995   3.6235759560   0.6254843410
C   -3.3741981234  -1.3612638408  -1.8846681097
C   -3.3645305495   0.5486122257  -0.3653453505
C   -1.5691348933   3.0653997670   2.0230036779
H    3.2342533028  -1.1620791015  -1.8276607501
H    1.7264962194  -1.9996953181  -1.6034221377
H    3.7476262155  -1.3760040335   0.6029489400
H    3.5430099626  -2.9095024247  -0.2079361761
H    1.4306807659  -1.5421033480   1.5237022902
H    1.2093854946  -3.0661993862   0.6884314010
H    3.3128115895  -2.5311679524   2.8548009859
H    1.8208525269  -3.4372534402   3.0775720908
H    3.0850950663  -4.0691291014   2.0286652646
H    4.3545889436   2.2135240262  -0.7127144988
H    4.2353436382   0.8613367124  -1.8431257479
H    4.4692710867   0.5510143296  -0.1354152014
H    0.6415565704   4.2354094332   0.4261167825
H   -1.6123600466   4.6826898190   0.6092052839
H   -2.0303408411   3.1360384445  -0.0804813192
H   -4.4324378385  -1.1588772636  -2.0304739454
H   -3.2316695376  -2.4345824278  -1.9533255801
H   -2.8151308166  -0.8667290319  -2.6812377849
H   -4.4423585233   0.6259395216  -0.4883481717
H   -3.1180055986   0.8813227106   0.6368535882
H   -2.8792956673   1.1970064775  -1.0934209729
H   -0.9383817078   3.5779365677   2.7504769548
H   -1.3450349514   1.9999233694   2.0676461711
H   -2.6070283160   3.2024595449   2.3293161659
*