! 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   0.9425636059  -1.4471059488  -2.1996356800
Cl   4.9015384591   1.2990277000   0.0708021069
O   -1.1217890762  -1.7280844334  -0.1084253769
O   -1.4834165531  -0.0566541736   1.3393731638
N   -1.3348761081   1.8343873523  -0.9305691362
N   -0.3989586976   2.3532249433  -1.7300642881
N   -1.0631464049   3.8678713294  -0.2137516134
C   -0.9131874012  -0.3578272161   0.1004819351
C   -1.6040398240  -2.3317468578   1.0954596737
C   -1.3711337938  -1.2344493637   2.1240441372
C   -3.0583169946  -2.7408640702   0.9350921806
C   -1.6682115491   0.4328252663  -0.9758410589
C    0.5735975677  -0.0073080820   0.0942872625
C   -3.5671238388  -3.5794738064   2.1004297090
C    1.4563627478  -0.4326147442  -0.8952093464
C    1.0772121698   0.8504533227   1.0674542472
C   -5.0209077973  -3.9873978089   1.9218834057
C    2.7871327919  -0.0435610908  -0.9071709880
C    2.3994721778   1.2600781105   1.0790253699
C   -1.7084355279   2.7425888936  -0.0277125921
C    3.2462516184   0.8030090476   0.0858612435
C   -0.2764529303   3.5672615260  -1.2643175840
H   -0.9899168583  -3.2108946768   1.3091602899
H   -2.1199847103  -1.1967607113   2.9140169938
H   -0.3817425531  -1.3113246983   2.5869402192
H   -3.1591580581  -3.3161535036   0.0101336101
H   -3.6828809387  -1.8481717172   0.8193161726
H   -2.7413247629   0.3091660561  -0.8290906160
H   -1.4212832583   0.0652203292  -1.9682345262
H   -3.4617889548  -3.0258252687   3.0379096008
H   -2.9443833976  -4.4727811977   2.2040228315
H    0.4235739955   1.2197218757   1.8449815985
H   -5.6718187623  -3.1137928786   1.8550617003
H   -5.1601934959  -4.5708351018   1.0100963929
H   -5.3698330484  -4.5943880442   2.7576931524
H    3.4501970830  -0.3921090140  -1.6864170328
H    2.7542121531   1.9275024576   1.8514664730
H   -2.4567103397   2.5531992460   0.7248225094
H    0.4076591095   4.2737710024  -1.7071758748
*