! 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   -1.8954252560   0.4374952127   1.2114939662
O   -2.1602860573   0.3318505059  -2.5441329556
N   -1.9527852520  -0.2520294332  -0.3355425484
C    2.2848361431  -1.5842553841  -0.4990021685
C    0.8531033247  -1.2170183085  -0.8813259388
C    2.6479842254  -1.3265537435   0.9631147188
C   -0.2006411054  -1.9952831033  -0.1063073553
C    2.4136165408   0.1048271916   1.4431893052
C   -1.6286386393  -1.6586372467  -0.5085644134
C    3.1420134955   1.1828761488   0.6449049375
C    4.6571407828   1.0423034627   0.6680410296
C   -2.1304999451   0.6463003425  -1.3563039444
C   -2.2832444066   1.9753775679  -0.7870575278
C   -2.1690976556   1.9929645467   0.5498992668
H    2.9718208372  -1.0337268949  -1.1482261746
H    2.4541133124  -2.6426839214  -0.7196740067
H    0.7145061395  -1.3985053301  -1.9512939103
H    0.7028762426  -0.1420940386  -0.7399121457
H    3.6973846092  -1.5970368552   1.1106259245
H    2.0838342196  -2.0053620843   1.6090375885
H   -0.0794814170  -1.8418113650   0.9702046840
H   -0.0655017347  -3.0678952186  -0.2706813400
H    2.7203134882   0.1740752011   2.4917551100
H    1.3406622312   0.3228775590   1.4370403923
H   -2.3387593366  -2.2602725144   0.0611888755
H   -1.7942539605  -1.8843566612  -1.5611446599
H    2.7913234621   1.1844511186  -0.3914719177
H    2.8676471294   2.1603369100   1.0504581850
H    5.0359835164   1.0296299958   1.6922391024
H    4.9922986202   0.1234892401   0.1841573895
H    5.1393914161   1.8727849689   0.1507477398
H   -2.4609148443   2.8468940182  -1.3980594657
H   -2.2386619905   2.8448724809   1.2100929102
*