! 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  -4.6087763181  -1.5935659794   0.4584204005
O    1.4528885045   0.2851450525  -1.6686362904
N    0.5928728825   2.1751183042   0.2585666938
N    0.9318385225   3.1258291631  -0.6157146847
N   -1.1490193593   3.4731599113   0.1483026665
C    3.6200952621  -0.9039023893  -0.0880577576
C    4.3646267551  -0.3300373255   1.0792382959
C    4.6588039407  -1.7222291095   0.6134448010
C    2.1666589761  -1.3097262655   0.0265954072
C    1.2032637655  -0.1544716678  -0.3546470749
C    1.9045656489  -2.5536889897  -0.8205485840
C    1.4653439242   1.0617476122   0.5496596611
C   -0.2540176407  -0.5678309076  -0.1783708153
C   -0.6857397797  -1.1638036029   1.0060189015
C   -1.2029462533  -0.2899141385  -1.1554446880
C   -2.0177965511  -1.4827358087   1.2097344174
C   -2.5421425966  -0.6049427865  -0.9696800010
C   -0.6491732760   2.3911495931   0.6935741539
C   -2.9397156527  -1.1998881566   0.2137329628
C   -0.1380491724   3.8758612153  -0.6436299152
H    3.9079730152  -0.5240560687  -1.0630542766
H    3.8339072271  -0.2156123136   2.0170557033
H    5.0963315596   0.4448840752   0.8887125676
H    5.5957360939  -1.9101000486   0.1051261667
H    4.3200092258  -2.5430317593   1.2349154803
H    1.9779006025  -1.5748372783   1.0723764102
H    2.1248963394  -2.3891370246  -1.8782144324
H    0.8745070439  -2.9021993420  -0.7434141788
H    2.5491781951  -3.3688188073  -0.4926144276
H    2.4876607377   1.4141907209   0.4357710035
H    1.3277699295   0.7828058509   1.5935169700
H    1.3252954094  -0.4523007302  -2.2765390264
H    0.0140925799  -1.3843350680   1.8019300524
H   -0.9161198607   0.1910118771  -2.0801150038
H   -2.3286320570  -1.9454211126   2.1363504934
H   -3.2627391954  -0.3792096751  -1.7439174677
H   -1.1396898073   1.7563280650   1.4145834547
H   -0.1893127055   4.7608938540  -1.2582529463
*