! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.7200004614  -0.7884780893  -1.8757350177
S   -2.0551017986  -1.3154437317   0.4514348111
O   -2.7512552928  -2.4201495564  -0.1639918519
O   -1.9822031052  -1.2185949691   1.8947943859
O   -0.8936476946  -1.2083597933  -2.2550647023
O    2.9116074315  -1.2910992959   2.7339048522
O    5.7532157140  -0.7745798817  -0.9001711069
N   -2.2288629237   1.3796769362   0.0732945036
N   -1.2061094993   1.6450345380   0.8719984193
N   -3.8932437756   1.6631410436  -1.3742815703
N   -0.4700811008  -1.2822796466  -0.0263467970
N    1.2573120677  -1.1308960250  -1.5670716341
N    2.0631842389  -1.2189666205   0.6118514421
N    3.5000158575  -0.9513517699  -1.2410936477
C   -2.7182078971   0.1322870699  -0.2177856839
C   -0.8844169982   2.9043642970   0.9853927680
C    0.2580174069   3.2432275581   1.8955699454
C   -2.9666657102   2.2762880660  -0.6453282879
C    1.4496736690   2.2958197725   1.8100212332
C   -1.5899057616   3.9356736482   0.3056068804
C   -2.6335333609   3.6314150939  -0.5103521399
C   -3.7349961231   0.3677747024  -1.1244349878
C    2.1225069620   2.2982243622   0.4466607469
C   -0.0952951108  -1.2129252878  -1.3416714084
C    2.3137698809  -1.0972417265  -0.6809447916
C    3.1089983168  -1.1740821926   1.4314397076
C    4.5333512950  -0.9120880348  -0.4111435146
C    4.4034154727  -1.0138784770   0.9697207446
C    1.5911977522  -1.5262532181   3.2183388437
C    5.9287261169  -0.6818139176  -2.3127729994
H    0.5820654080   4.2624856170   1.6772880475
H   -0.1247590427   3.2624707850   2.9203399841
H    1.1336761895   1.2843791299   2.0693938204
H    2.1687390520   2.5972212611   2.5739190680
H   -1.2801240440   4.9613708369   0.4443742016
H   -3.1914786319   4.3821599600  -1.0506450510
H    3.0324293653   1.6965463663   0.4569846876
H    1.4706203831   1.9004316285  -0.3327788434
H    2.4094808061   3.3088019273   0.1502649169
H    1.5118498186  -1.0559230224  -2.5432280671
H    5.2543477165  -0.9829741444   1.6339926220
H    0.9239346436  -0.6909395253   3.0030853235
H    1.6866710983  -1.6234440261   4.2957887278
H    1.1706186552  -2.4472109182   2.8150209647
H    7.0001651967  -0.5939642157  -2.4684889721
H    5.4336542572   0.1975852677  -2.7228582249
H    5.5652027601  -1.5728523786  -2.8230160586
H    0.2700961933  -1.2394878781   0.6885836316
*