! 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   5.0195274805  -2.7364996411  -0.0708540904
N   -3.5385830929   0.3045294618  -0.1000723955
N   -4.0660224630   0.6793343808   1.0712912872
N   -4.7658855513   2.0350850163  -0.5747690263
N    0.1900683106  -2.4716381211  -0.6282937157
C   -1.1159557431  -0.3276363439   0.1064994594
C   -0.9384210929  -0.1080474321   1.6255344846
C   -2.5825154834  -0.7612863625  -0.2149733764
C   -0.7418584775   0.8801030420  -0.7386968611
C    0.4063178575   0.4729863730   2.0702379587
C    1.5956799918  -0.2974710110   1.5751358114
C   -0.3303932936  -1.5009685107  -0.2926564168
C   -1.0928516756   2.1577125456  -0.3081952701
C   -0.1158734123   0.7407897494  -1.9733534852
C    1.9325017023  -1.5255764626   2.1385961237
C    2.3564579413   0.1711609851   0.5086429909
C   -0.8158335661   3.2686553434  -1.0905733697
C    0.1659605624   1.8522738513  -2.7548357763
C   -3.9561065010   1.1295552686  -1.0628992886
C   -0.1819824471   3.1210471391  -2.3158864565
C    2.9809254862  -2.2804528569   1.6410661852
C    3.4104539569  -0.5698159803  -0.0049304153
C   -4.7903513261   1.7136494378   0.7327159421
C    3.7071436035  -1.7960586290   0.5637880714
H   -1.1106718680  -1.0663568805   2.1216088747
H   -1.7303233655   0.5522875580   1.9784141224
H   -2.6323578274  -1.1319875335  -1.2375041316
H   -2.8808645693  -1.5723629281   0.4476022276
H    0.3987373248   0.4864412101   3.1622573483
H    0.4882125377   1.5132160215   1.7527953764
H   -1.5834158323   2.3066022686   0.6455722349
H    0.1683215586  -0.2376841176  -2.3393368184
H    1.3614549309  -1.9096179623   2.9754947611
H    2.1239323417   1.1294721537   0.0610954522
H   -1.0960404519   4.2519941698  -0.7372345471
H    0.6617738014   1.7219815132  -3.7075205916
H   -3.6626818786   1.0213636384  -2.0950803721
H    0.0392484922   3.9882989283  -2.9236524863
H    3.2280720639  -3.2339872738   2.0874324674
H    3.9881144502  -0.1911898737  -0.8372391021
H   -5.3710091434   2.2564806498   1.4616673886
*