! 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   5.0576268926   3.3127647375  -0.4907907318
O   -2.0642891838  -1.4890184022   1.3577690157
N   -0.6696870357  -2.8171719584  -0.8880748356
N   -0.3134089652  -3.4495044749   0.2373478797
N    1.3513111431  -3.5327543289  -1.2568235277
C   -1.9901165099  -0.9454051786   0.0600731681
C   -3.2634463376  -0.0995192709  -0.2604689051
C   -0.7770796610   0.0346388901  -0.1211234072
C   -2.6893399915   1.0528847206  -1.0891573647
C   -1.4019375735   1.4068661930  -0.3653232384
C   -4.0556227413   0.3367416828   0.9943932116
C   -1.9151705233  -2.0841450018  -0.9696131880
C    0.2541343573   0.0039412730   1.0081804109
C   -4.8772473467   1.6033617987   0.7683821016
C   -4.9997295703  -0.7801394821   1.4380389140
C    1.4597456315   0.8311120574   0.6638689748
C    0.3363001567  -2.8648217499  -1.7584898511
C    1.6048694403   2.1367513050   1.1231099120
C    2.4543929697   0.3115773409  -0.1621102189
C    2.7048601125   2.9076194810   0.7732946376
C    3.5612289904   1.0636394851  -0.5235478948
C    0.9028015590  -3.8571559224  -0.0324761476
C    3.6755079667   2.3616600985  -0.0501643762
H   -3.9539404116  -0.6886879055  -0.8767756957
H   -0.2543548769  -0.2376538958  -1.0463738902
H   -3.3753801097   1.8886699691  -1.2144538811
H   -2.4527405727   0.6990738198  -2.0976924900
H   -0.7504429127   2.0689583686  -0.9367828812
H   -1.6215991497   1.9092480244   0.5829425054
H   -3.3603479528   0.5480505091   1.8119571889
H   -1.9873041744  -1.6920766168  -1.9828787072
H   -2.7425656370  -2.7801718563  -0.8241993520
H    0.5822672558  -1.0208109039   1.2011396268
H   -0.1959215726   0.3713030006   1.9324719982
H   -1.4014377335  -2.1909090804   1.4350621793
H   -5.5374717013   1.5094279554  -0.0973559880
H   -5.5088058249   1.7984837616   1.6374712311
H   -4.2580180480   2.4886811052   0.6219906005
H   -5.4847313260  -0.5332351180   2.3845896718
H   -4.4896153202  -1.7324590674   1.5663575473
H   -5.7895857766  -0.9268511387   0.6964145409
H    0.2843612689  -2.4204690908  -2.7398792086
H    0.8506490738   2.5673338107   1.7702585393
H    2.3717033352  -0.7054269711  -0.5290679840
H    2.8003761358   3.9195463637   1.1430183070
H    4.3246374471   0.6390663717  -1.1612514848
H    1.4827335000  -4.4168447694   0.6842797475
*