! 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  -6.6196189929   4.4069397879   1.0414207508
O    1.7944768562   0.8033123824   0.9620827525
O    0.9815656301  -3.0939238787  -0.1605515882
N    2.2566316756  -1.2359781860   0.1165769778
N    3.1986353575  -3.2525387198  -0.6203749185
N    5.0011141833  -4.5090192846  -0.4918448586
C    1.1451748743  -0.4156084274   0.6851747699
C    3.4486562625  -0.3860749075  -0.1494310819
C    2.7801187601   0.9845637855  -0.0269839668
C    0.0306743490  -0.2044298250  -0.3485340098
C    0.6394251683  -0.9751354758   2.0027511300
C    4.5199926201  -0.5262429838   0.9280738330
C    4.0441122053  -0.5469844275  -1.5400327544
C   -1.0831482909   0.7185417287   0.1319864892
C    2.0491407193  -2.5134229485  -0.2027048436
C   -2.1043199299   0.9738623135  -0.9779442149
C   -3.2423590864   1.8305218720  -0.5040475143
C    3.3676817132  -3.8114541501  -1.8630272754
C    4.1990181753  -3.7223135695   0.1679033110
C   -4.3789488334   1.2578355591   0.0612405879
C   -3.1712750537   3.2195743992  -0.5720435936
C    4.4949118144  -4.5648758166  -1.7640059599
C   -5.4200590683   2.0392433128   0.5400829669
C   -4.2010606394   4.0196196265  -0.0988027690
C   -5.3205345022   3.4185869976   0.4539916852
H    3.4758146175   1.7563746833   0.2996461381
H    2.3454797237   1.3003005137  -0.9833598892
H   -0.4005987485  -1.1685143224  -0.6161234949
H    0.4647918630   0.2010508955  -1.2675436744
H    1.4695218575  -1.2615102818   2.6486348149
H   -0.0002003838  -1.8412149649   1.8541926775
H    0.0551086124  -0.2195409086   2.5271888028
H    5.2668438581   0.2574298097   0.7964709866
H    5.0468802828  -1.4757281163   0.8681178841
H    4.1033900903  -0.4276335437   1.9304560081
H    4.6572683247   0.3297637067  -1.7555388071
H    4.6941726819  -1.4150061976  -1.6301712422
H    3.2722553735  -0.6041152816  -2.3080188328
H   -1.5985984240   0.2759944869   0.9883352173
H   -0.6742442990   1.6738932109   0.4699506542
H   -2.4894775712   0.0173290350  -1.3404502767
H   -1.6057965490   1.4532183294  -1.8242219832
H    2.7041855321  -3.6024856379  -2.6850910101
H    4.2595356513  -3.4929592401   1.2196468919
H   -4.4615297264   0.1796525643   0.1271073074
H   -2.2993771829   3.6926136649  -1.0076414063
H    4.9701310825  -5.1413358626  -2.5411691684
H   -6.2966732392   1.5746547254   0.9705968826
H   -4.1288897394   5.0966652840  -0.1656786417
*