! 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  -6.1651231884   0.8918060386   1.1059780340
O    2.7390293087   1.5098165046   0.4936566005
O    0.1456412411  -1.7145667085   0.5828140379
N    2.0824695882  -0.6185829454   0.1228365476
N    1.7628483855  -2.8429302401  -0.5376396513
N    2.2979936682  -4.2551458287  -2.1384677785
C    1.5956826271   0.6993623523   0.6306994965
C    3.5512231019  -0.5740174615  -0.1148724410
C    3.8646420376   0.6883853410   0.6884179935
C    0.4995145430   1.2611341260  -0.2718849173
C    1.1817581615   0.6332210181   2.0991388131
C    4.3261309802  -1.7515617879   0.4582576684
C    3.8997491721  -0.3456875415  -1.5826940680
C    0.1986175687   2.7390240189  -0.0487240800
C    1.2644668620  -1.6725942452   0.1094839259
C   -0.9833609150   3.2141441305  -0.9007943085
C   -2.2938751560   2.6456112452  -0.4355028580
C    1.9249402972  -4.0655992213   0.0656476465
C    1.9861609496  -3.0201832321  -1.8654854120
C   -2.8916232028   1.5621517090  -1.0722536465
C   -2.9241373574   3.1753278872   0.6892842511
C    2.2773785152  -4.9132301640  -0.9367635080
C   -4.0797122305   1.0153183766  -0.6055870584
C   -4.1112397681   2.6464727004   1.1699747522
C   -4.6791454969   1.5643784968   0.5148241975
H    4.0193370496   0.4535438829   1.7483666630
H    4.7500779436   1.2043953810   0.3210315045
H   -0.4065552605   0.6732697830  -0.1188156218
H    0.7983433284   1.1163996306  -1.3142472197
H    0.2407096661   0.1079388955   2.2351828540
H    1.0572218287   1.6442860892   2.4863450174
H    1.9362798453   0.1369267599   2.7101328838
H    5.3748150993  -1.4623550056   0.5440028214
H    4.2959477889  -2.6357350773  -0.1756782155
H    3.9783978783  -2.0226858386   1.4554720360
H    3.3389082733   0.4864905795  -2.0084494773
H    4.9619457746  -0.1153085172  -1.6704422069
H    3.7172944836  -1.2278892691  -2.1922787968
H   -0.0225916912   2.9400557069   1.0027852688
H    1.0727332320   3.3394554479  -0.3045887698
H   -0.8094957918   2.9480011703  -1.9461457734
H   -1.0273697330   4.3043854967  -0.8598528349
H    1.8064996158  -4.2052377037   1.1268519241
H    1.8479405608  -2.2295371446  -2.5849511922
H   -2.4286045333   1.1305880995  -1.9513214436
H   -2.4841077432   4.0222302768   1.2024365869
H    2.5164783445  -5.9613634471  -0.8570472382
H   -4.5271402883   0.1717738064  -1.1131730210
H   -4.5856350422   3.0756348595   2.0420878252
*