! 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   5.8872187244   1.9147955636  -0.2618392291
O   -2.4341136402  -0.8054977471  -1.5327807504
N   -2.5779029024   1.3972031286   0.3287169924
N   -1.7334493085   2.2706244786   0.8862697755
N   -2.8362865014   3.2335020474  -0.8103597650
C   -1.8571505040  -0.9020148737  -0.2417193451
C   -1.7610845718  -2.3757114750   0.2249072720
C   -0.3826367488  -0.4960242875  -0.4365046116
C   -0.4929103412  -2.9113234892  -0.4907483837
C    0.1819639191  -1.7115835595  -1.1708281513
C   -2.9707378245  -3.2960145135  -0.0107474309
C   -2.6287792896   0.0058770050   0.7268631657
C    0.3823426106  -0.2512259100   0.8743357785
C   -2.6836191707  -4.6674293191   0.5988977880
C   -4.2941760338  -2.7803050478   0.5498871709
C    1.7629353956   0.2822808093   0.6127986171
C   -3.2202061938   1.9846701631  -0.6811923617
C    1.9389150241   1.6006293001   0.1935426852
C    2.8935039798  -0.5158644245   0.7557869907
C    3.1987071496   2.1104409611  -0.0769438682
C    4.1648210889  -0.0249875434   0.4900102420
C   -1.9222972369   3.3495500918   0.1708481443
C    4.3051836748   1.2878744097   0.0735851837
H   -1.5823983194  -2.3572891781   1.3071327177
H   -0.3279800540   0.4142429441  -1.0429663930
H   -0.7500965825  -3.6773634731  -1.2244756095
H    0.1767380667  -3.3889549030   0.2254969254
H    1.2705386470  -1.7602982741  -1.1201823752
H   -0.0759283078  -1.6718315276  -2.2289060301
H   -3.0892384633  -3.4359355673  -1.0922372043
H   -2.2441103712  -0.0657043943   1.7416103840
H   -3.6780996345  -0.2791547917   0.7741800275
H    0.4556326162  -1.1743459664   1.4551032697
H   -0.1464564622   0.4694266704   1.4971030420
H   -3.2976278334  -1.2319296641  -1.5314249994
H   -1.7713071438  -5.1173314376   0.2068066647
H   -2.5762896456  -4.5942034724   1.6840491112
H   -3.5008027916  -5.3613321683   0.3954725291
H   -4.6859689903  -1.9143448480   0.0141475247
H   -4.2069141701  -2.5116299848   1.6050693781
H   -5.0608848135  -3.5531674983   0.4746385831
H   -3.9681204346   1.4877593633  -1.2765999491
H    1.0769607017   2.2478987345   0.0795158025
H    2.7880132553  -1.5427208758   1.0843517067
H    3.3144574848   3.1366735206  -0.3984953428
H    5.0304310654  -0.6624769431   0.6082210220
H   -1.3864432614   4.2631506776   0.3758977516
*