! 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    2.3298733083   1.6971376326  -0.1723678778
O    2.8781973768   0.1852368257  -0.3103500457
O    0.9231132852  -1.5846078857   0.0168979726
O    2.7215223034   2.0778892273   1.1567262890
O    2.7387646548   2.4581265821  -1.3201862337
O   -1.3064921108   0.8294452832   3.6622174479
O   -4.7725906579  -1.1749376919   1.3153473192
O    0.2311808444   1.5053803064  -2.3936699676
N    0.6962746938   1.5394579513  -0.1469052177
N   -1.3620612092   0.8390056722  -0.9469615339
N   -1.3071626633   0.8431070735   1.3760016542
N   -3.0675767484  -0.1676730851   0.1749399476
C    2.4604211268  -0.5584837278  -1.4152536616
C    1.4239638456  -1.4779271504  -1.2231115782
C    3.0766969155  -0.3939257377  -2.6380873928
C    0.9860683559  -2.2045854015  -2.3266342072
C    2.6425225220  -1.1385985864  -3.7246278432
C    1.5917445132  -2.0271905108  -3.5632700857
C    0.0122810583  -2.6503799888   0.2877586415
C   -0.1070879750   1.3097298768  -1.2507040619
C   -1.9257618490   0.4860141756   0.2629709509
C   -0.1717404531  -2.7508047851   1.7800321800
C   -1.8915956640   0.5057250569   2.5227429562
C   -3.6376203982  -0.4998958914   1.3261995393
C   -3.0935030336  -0.1776670368   2.5642054786
C   -0.0432957016   1.4913248962   3.6276838319
C   -5.3353925005  -1.5674526637   0.0647074113
H    3.8956739763   0.3052277874  -2.7402702308
H    0.1723692130  -2.9104130603  -2.2359659335
H    3.1207216845  -1.0191353672  -4.6864079291
H    1.2346634605  -2.6026814697  -4.4066399523
H    0.4120344881  -3.5908993149  -0.1021161554
H   -0.9427122802  -2.4657309960  -0.2135237327
H    0.2578893126   1.3434906308   0.7714050866
H   -1.9260254931   0.6248270066  -1.7589703176
H   -0.5608378758  -1.8301823043   2.2111141666
H   -0.8869618972  -3.5430668899   1.9983440276
H    0.7644256627  -2.9962115003   2.2809953468
H   -3.5665139256  -0.4571171456   3.4938831545
H    0.7249986472   0.8634531078   3.1747071173
H   -0.1003298298   2.4467559921   3.1069251569
H    0.2229346185   1.6704823912   4.6651555117
H   -6.2355257716  -2.1230310659   0.3116660347
H   -5.6017574848  -0.7057675564  -0.5457723265
H   -4.6591860965  -2.2127602852  -0.4951891066
*