! 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   -1.9005549208  -1.1140073573   0.9767324539
O   -0.3536663539  -0.9916197535   0.4341427668
O   -2.1289624799  -0.1295502204   2.0035397330
O   -1.9478384757  -2.5199168955   1.2952056032
N    1.8577353469   2.3699952228   0.1307733480
N   -0.2498990791   1.2982057891   0.2339736504
N   -2.8853968897  -0.8474182854  -0.2852850436
N   -0.0703985795   3.5949009331   0.1267574983
C    2.4169203690  -1.3448907725   0.5303339939
C    2.5751649965  -2.0686662547  -0.8079338191
C    1.7575452166  -0.0038089511   0.4017077476
C    3.2376108024  -3.4312582899  -0.6579914582
C    2.4620977644   1.1948917098   0.2446697191
C    0.3798863982   0.1598764030   0.3643426588
C    3.4021965233  -4.1543186135  -1.9854157861
C    0.5217271293   2.3854076221   0.1548272308
C    3.9563169191   1.1997913586   0.2114645389
C   -1.4838532402   3.8041431711  -0.0909750031
C   -2.7200570903  -1.7326564277  -1.4371736459
C   -3.2423326327   0.5207998003  -0.6475131405
C   -1.8891434470   3.7688118454  -1.5549608852
H    1.8468076502  -1.9768318703   1.2151732645
H    3.3996845376  -1.2262923490   0.9916524740
H    3.1639662695  -1.4484472044  -1.4918195410
H    1.5933976980  -2.1894964618  -1.2757917762
H    4.2159633551  -3.3087532143  -0.1834415223
H    2.6442214335  -4.0477943851   0.0239604780
H    3.8754627619  -5.1282586963  -1.8546728629
H    2.4376447827  -4.3204421053  -2.4688080512
H    4.0206983796  -3.5788777614  -2.6767590325
H    4.3417024525   0.5085557807  -0.5388764254
H    4.3701920491   0.8892672190   1.1727171133
H    4.3328684917   2.1948203555  -0.0123508061
H    0.5434248199   4.3676088877  -0.0756553236
H   -2.0378102102   3.0605060865   0.4786271766
H   -1.7389042942   4.7733659926   0.3370143965
H   -2.5865310980  -2.7652232476  -1.1301623851
H   -1.8832020496  -1.4310462352  -2.0702911299
H   -3.6328138633  -1.6797003932  -2.0259638717
H   -4.2073870249   0.4798558471  -1.1487191768
H   -3.3482628786   1.1460795932   0.2318786755
H   -2.5135649528   0.9649267260  -1.3226125176
H   -1.4243554541   4.5840412895  -2.1110955117
H   -2.9706037502   3.8724905229  -1.6523214698
H   -1.5971229438   2.8317847710  -2.0296853373
*