! 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  -5.4816775702   3.1451942872   1.6163096319
O    2.0449045714   1.4609330421   0.5692746115
O    3.2945415357  -2.2121825422  -1.5686242403
N    2.6481238931  -0.5983884864  -0.1102381479
N    1.4855776851  -2.6358232725  -0.2705453911
N   -0.3018881080  -3.9081038926  -0.4500056775
C    1.6323958576   0.1229053603   0.7216823756
C    3.7796871466   0.3042471702  -0.4404982200
C    3.4519556891   1.4651508655   0.4957499326
C    0.1957866935   0.0328492332   0.2159371655
C    1.7067475101  -0.2702699087   2.1944043952
C    5.1344165779  -0.2938282456  -0.0947546844
C    3.7291747164   0.7784076423  -1.8913041741
C   -0.0234509343   0.3969763794  -1.2456408955
C    2.5528303800  -1.7902150581  -0.7032667111
C   -1.4610976971   0.1248755278  -1.6978912139
C   -2.4857048082   0.8691215614  -0.8889378783
C    1.3440016556  -3.2726368017   0.9378287616
C    0.4786461206  -3.0709768519  -1.0716724650
C   -2.6494814514   2.2445271932  -1.0420404035
C   -3.2694789664   0.2164994261   0.0576197097
C    0.2344189765  -4.0478053261   0.8030091012
C   -3.5653580877   2.9513904271  -0.2784680777
C   -4.1923398777   0.9050689812   0.8326669955
C   -4.3309622049   2.2713383204   0.6565576837
H    3.9087724697   1.3270733564   1.4833546729
H    3.7838685817   2.4245368220   0.1001209597
H   -0.3819330797   0.7112067702   0.8500807705
H   -0.2070912314  -0.9581911581   0.4302448028
H    1.2368940895  -1.2318684683   2.3830597306
H    1.1680925093   0.4708186748   2.7856678832
H    2.7321217596  -0.3199922545   2.5602574576
H    5.4433226997  -1.0618209158  -0.7998551186
H    5.1363308616  -0.7208534905   0.9087542418
H    5.8875916555   0.4953018705  -0.1195043232
H    2.7800265384   1.2636290325  -2.1217889153
H    4.5232926087   1.5076768344  -2.0569584010
H    3.8783982316  -0.0356102233  -2.5959129880
H    0.2177188885   1.4495562156  -1.4094389335
H    0.6428480026  -0.1706169269  -1.9007022245
H   -1.6614025523  -0.9484242184  -1.6392486724
H   -1.5526670726   0.4007823697  -2.7507660763
H    2.0512722593  -3.1602965291   1.7411516948
H    0.3683310295  -2.7371081946  -2.0915251826
H   -2.0553889805   2.7802471689  -1.7728515224
H   -3.1639429636  -0.8524118026   0.1982211671
H   -0.1978375108  -4.7063608316   1.5388632255
H   -3.6808525313   4.0180849074  -0.4144212303
H   -4.7924469830   0.3779040855   1.5617438819
*