! 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  -5.1741708252  -0.3084613892   0.9173204447
S   -2.0643319262  -1.5987181953  -0.2855323992
O   -1.7717373172  -1.8246508901  -1.6860190538
O   -2.9905646240  -2.4611417510   0.4062890745
O   -1.2851084705  -0.9803416253   2.4958469464
O    3.0781192364  -1.5933839656  -1.9681116291
O    5.3897485808  -0.0011981407   1.7259689735
N   -1.8414969473   1.1245878622  -0.3175689519
N   -0.5863597342   1.1027456052  -0.7391042937
N   -3.7933226388   1.8852122822   0.4255678438
N   -0.5721749987  -1.6330559243   0.4384966329
N    0.9267325672  -0.8842971343   2.0478411871
N    1.9923921599  -1.2802739744   0.0194654425
N    3.1527194898  -0.4423305923   1.8949878229
C   -2.6135845064   0.0268796023  -0.0418176862
C   -0.0145096404   2.2659541313  -0.8894168585
C    1.3985822287   2.2527872815  -1.3766715996
C   -2.5881274301   2.2283003410  -0.0152198764
C    1.4797306585   2.1562186051  -2.9013537232
C   -0.6929162014   3.4890434889  -0.6358544002
C   -1.9802456660   3.4790125474  -0.1972474306
C   -3.8043228535   0.5557667783   0.4182137750
C    2.9131162252   2.0025326081  -3.3807854960
C   -0.3769322277  -1.1557175817   1.7118422967
C    2.0699434139  -0.8726586932   1.2745705716
C    3.1109551482  -1.2278078007  -0.6983317614
C    4.2644613209  -0.4164228876   1.1725760372
C    4.3121418477  -0.7996760418  -0.1632788348
C    1.8225454312  -1.9197037222  -2.5599043764
C    5.3848136465   0.4078233676   3.0919800356
H    1.9070690421   3.1565743599  -1.0367933043
H    1.9210693859   1.4065884314  -0.9264346617
H    1.0288753847   3.0469741733  -3.3455823951
H    0.8837337289   1.3061619372  -3.2428695664
H   -0.1678339438   4.4213751395  -0.7861361249
H   -2.5300131255   4.3828599787   0.0211845589
H    3.5379219750   2.8334194992  -3.0493838118
H    3.3593724340   1.0811592945  -3.0013355439
H    2.9615142493   1.9661715824  -4.4690990258
H    1.0498099807  -0.5583863521   2.9975672483
H    5.2217235387  -0.7595760592  -0.7440795452
H    1.3769916849  -2.8029302984  -2.1020819887
H    2.0357916768  -2.1340601566  -3.6030172931
H    1.1246050522  -1.0829279549  -2.5076585400
H    6.4106362525   0.6857040054   3.3166400791
H    5.0802529285  -0.4015392613   3.7543493909
H    4.7373467518   1.2692729197   3.2514488078
H    0.2515393971  -1.6150105288  -0.1834615130
*