! 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   -1.3473238718  -0.2930149872  -1.6504405801
O   -1.2147104480  -1.7350851620  -1.5317551880
O   -1.6505880858   0.2878213476  -2.9421384063
O   -0.7271132886  -1.2450641597   1.3350360953
O   -0.4468849422   2.4934698326  -1.2449932973
O   -2.4468105690  -2.6716109553   1.4465181265
N    0.1043627075   0.2933436949  -1.1110353548
N    1.6042004618   1.9390964772  -0.4794297189
N    3.7116133145   1.7631350225   0.3658696659
N    2.5123410646  -0.1890163985  -0.2135491683
C   -2.5787209100   0.2541849824  -0.4968949896
C   -2.8150180999  -0.4507631772   0.6849312835
C   -3.3921358175   1.3121249701  -0.8723569620
C   -3.8910561563  -0.0784424060   1.4782986133
C   -4.4447961185   1.6889878980  -0.0524459514
C   -4.6957028451   0.9925503110   1.1176353271
C    0.3617535697   1.6289294104  -0.9706202165
C   -1.9854666849  -1.5935532403   1.1697088158
C    2.6504347332   1.1212950014  -0.0940111202
C    4.7413020478   1.0127213301   0.7483690957
C    3.5387405396  -0.9530217750   0.1654664939
C    4.6919140252  -0.3737702195   0.6624404164
C    5.9599014409   1.7031331064   1.2566600451
C    3.3906876887  -2.4304233577   0.0395399543
C    0.1836371266  -2.2489461013   1.7928462347
H   -3.2254028621   1.8389533615  -1.7998402728
H   -4.0962772330  -0.6197830486   2.3918960920
H   -5.0745546579   2.5183034789  -0.3418625039
H   -5.5236152584   1.2755738954   1.7526236430
H    1.7728687545   2.9301662329  -0.3708606385
H    5.5303094489  -0.9811685197   0.9734287770
H    5.7722901009   2.7576726716   1.4426988689
H    6.3163783000   1.2387691063   2.1756264265
H    6.7661372487   1.6232818459   0.5252421076
H    3.3783341402  -2.8991023048   1.0245512508
H    2.4737527505  -2.6958438230  -0.4815103374
H    4.2341720570  -2.8561361882  -0.5033250780
H   -0.1328707479  -2.6664205608   2.7475346626
H    1.1354854422  -1.7456545556   1.9245992312
H    0.2842244493  -3.0497874908   1.0609964683
H    0.8423083637  -0.3679940928  -0.8112927584
*