! 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   -2.1323115438   0.6114662247   1.7439819960
O    4.6803760622  -0.5971421478  -0.3578377865
O   -2.8124527655   1.8404559608   1.3819586678
O   -2.1463192609   0.1579369622   3.1170643370
O    1.2762797946   2.4147203733  -0.0202193805
O    0.1450613240  -1.2506872799   1.6838313719
O   -3.8490953267   1.3830948985  -1.8238951261
O   -1.6475424768   1.2822296628  -1.4349828008
N    3.2016336016   1.1563702978  -0.3574129435
N    1.5539358296   0.1836719660   0.6298628167
N   -0.5479531581   0.8745760703   1.2817381836
N    2.5494173587  -0.7638266697   0.5494651069
C   -2.7253383936  -0.6961493159   0.7073522515
C    3.5035492304  -0.1390835613  -0.0422900320
C   -3.0652832829  -0.4480307439  -0.6240352315
C    1.9295319854   1.3913124636   0.0680881770
C    0.3555692797  -0.1502222091   1.2398861599
C    4.9603750405  -1.9779315945  -0.0420642122
C   -2.9499128794  -1.9338279691   1.2881673992
C    6.3668637117  -2.2854109798  -0.4921324009
C    4.0644169856   2.1078478335  -1.0246257979
C   -3.6342941478  -1.4734940475  -1.3654652953
C   -3.5028394315  -2.9523474824   0.5267893141
C   -3.8426572550  -2.7219581295  -0.7953093111
C   -2.7628349706   0.8399427542  -1.3177005570
C    6.5837092788  -2.1417874960  -1.9907188570
C   -3.6898738667   2.5920263975  -2.5771646818
H   -0.3521916651   1.7473106557   0.7873922546
H    4.2332359308  -2.6117841048  -0.5549937487
H    4.8511134161  -2.1254674126   1.0339097011
H   -2.7063781861  -2.1125086480   2.3249501114
H    7.0739826546  -1.6618983008   0.0601778530
H    6.5646479221  -3.3150759596  -0.1860461279
H    4.2989331830   1.7716352480  -2.0315866922
H    3.5468049850   3.0598147677  -1.0864688099
H    4.9828778646   2.2473888112  -0.4604716690
H   -3.9038391080  -1.3068033778  -2.3995580305
H   -3.6717890247  -3.9211580649   0.9750076255
H   -4.2774306646  -3.5129869027  -1.3902973354
H    5.8864616518  -2.7646729933  -2.5538043711
H    6.4572298406  -1.1126468795  -2.3270581440
H    7.5929986865  -2.4498293895  -2.2633124296
H   -3.0573587263   2.4326071422  -3.4490443654
H   -3.2716111299   3.3858549147  -1.9603281379
H   -4.6875185698   2.8722192429  -2.8993343060
*