! 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
Cl  -2.3191013941   2.8750887146  -1.5340935872
S    1.8626305069  -0.8901449668  -1.3795420493
O    1.4787445509   1.3261530250   0.8356837533
O    2.1435883468   0.4601939842  -1.8306528609
O    2.0184519729  -1.9930680319  -2.3042286480
O    3.5720686704   2.1245562261   0.8391444557
O    0.2128007104  -2.9681222698  -0.1040927922
O   -5.8389241197   0.0105655356   0.5491557958
N    0.2795068698  -0.8331769807  -0.8668091423
N   -1.6581231938  -1.7242069739   0.0637419886
N   -3.7420618238  -0.8578682287   0.3117966326
N   -2.0350462283   0.4549185793  -0.6580380614
C    2.8370176508  -1.2343022660   0.0625583635
C    3.2258909006  -0.2164243837   0.9368606426
C    3.3116055107  -2.5281970500   0.2173246545
C    4.1015886781  -0.5270948007   1.9684931497
C    4.1636759720  -2.8241709028   1.2698806566
C    4.5570595419  -1.8253338948   2.1438886645
C    2.7884725948   1.2083488104   0.8439050695
C   -0.3443901626  -1.9084946856  -0.2995592637
C    0.9082157768   2.6435149728   0.7024116414
C   -2.5015972226  -0.6533142181  -0.1078958181
C    0.7820328556   3.3374987062   2.0363512856
C   -4.5910323409   0.1372883584   0.1562877198
C   -4.2230152735   1.3603086192  -0.4257349281
C   -2.9135043089   1.4361588535  -0.8073124446
C   -6.2579112439  -1.2171736600   1.1481028598
H    3.0344791626  -3.3068662872  -0.4770198195
H    4.4215855899   0.2491626093   2.6502186768
H   -0.2422224859   0.0442961133  -0.9680548787
H    4.5255167238  -3.8350771838   1.3934835954
H    5.2293120386  -2.0499102733   2.9602037059
H   -2.0827867356  -2.5387689700   0.4878655858
H   -0.0727314027   2.4700250219   0.2654198999
H    1.4895034466   3.2333265209  -0.0063037278
H    0.2673340877   4.2873436978   1.8904585952
H    0.1949616182   2.7453544406   2.7378763193
H    1.7516863431   3.5514096215   2.4838715675
H   -4.9262125439   2.1683379965  -0.5559274344
H   -7.3106461455  -1.0840587721   1.3781005208
H   -5.7101480840  -1.4194527071   2.0674238207
H   -6.1413689740  -2.0550658607   0.4623620510
*