! 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   0.6178227076   0.9334844063  -2.3534937524
S    1.4541752489   1.4904638031   0.9020124225
O    2.1718393326   1.4812472450   2.1580320535
O    1.1033620127   2.7511455114   0.2838056603
O    0.8946851551  -1.2580590177   1.7192801164
O   -3.7298271009   2.3062623748  -0.5513393491
O   -5.6064567119  -1.9196496451  -0.1493246475
N    3.4097149387  -0.2927445844  -0.0149170086
N    2.7654322714  -0.5991390490  -2.1430861398
N   -0.0074296592   0.7179623280   1.0673809890
N   -1.2984235163  -1.2100329428   1.1716058146
N   -2.5025925912   0.5805812176   0.3093438087
N   -3.4476822180  -1.5711160459   0.5184052078
C    2.3052363402   0.5078661627  -0.2365207247
C    3.6530791162  -0.9403509839  -1.2071278899
C    1.9590425342   0.2637424246  -1.5510518180
C    4.1744461796  -0.5083807052   1.0922885761
C    4.7288463288  -1.8323222829  -1.2993378519
C    5.2170659671  -1.3745547248   1.0107987984
C    5.5039279473  -2.0462660623  -0.1957497065
C   -0.0718581355  -0.6216629544   1.3504090060
C   -2.4662460190  -0.6983105451   0.6416638757
C   -3.6440754671   1.0350720368  -0.1990653309
C   -4.5796023950  -1.1029104091   0.0098983505
C   -4.7493405532   0.2222035140  -0.3741466768
C   -2.5864826207   3.1446058990  -0.3973415536
C   -5.4624415263  -3.2943507370   0.2023966551
H    3.9244831508   0.0281053351   1.9906991304
H    4.9121074236  -2.3300398064  -2.2406485367
H   -0.8554467825   1.1602365215   0.6796923749
H    5.8208374123  -1.5381176517   1.8909152575
H    6.3382596589  -2.7314585661  -0.2421589341
H   -1.3253608064  -2.1953491567   1.3997432821
H   -5.6770443435   0.5903314640  -0.7868085841
H   -2.8939125788   4.1277881030  -0.7413716736
H   -1.7522508049   2.8039418109  -1.0117743269
H   -2.2757122940   3.2172429004   0.6448368543
H   -6.4182320781  -3.7562346082  -0.0282711367
H   -5.2513944228  -3.4194201628   1.2637287002
H   -4.6810992180  -3.7791977761  -0.3816995990
*