! 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   5.3907994632  -2.9418583686   0.8625010078
O   -1.9751250442   1.0688226926  -1.7701251845
N   -0.8778042832   2.6427602231   0.3567397883
N    0.0954457769   2.5865715220   1.2713156101
N    0.6699121042   3.9761108306  -0.3917250300
C   -1.9872342984   0.5749036188  -0.4470167049
C   -3.1843326645  -0.3843354446  -0.1898374946
C   -0.7141714270  -0.2681685435  -0.0775058405
C   -2.6305453092  -1.3952122579   0.8116981807
C   -1.2319271095  -1.6622698625   0.2759154070
C   -4.5381386299   0.2425453897   0.1645664309
C   -2.0641874822   1.8160957167   0.4445181499
C    0.3875031130  -0.2475064046  -1.1376895960
C   -5.5504025496  -0.8372166859   0.5407425497
C   -5.1029911086   1.0804783981  -0.9802914235
C    1.6373650023  -0.9267468747  -0.6527391595
C   -0.5179476212   3.4684027146  -0.6256447895
C    2.5126128972  -0.2628673484   0.2051904892
C    1.9495680251  -2.2306219911  -1.0255591095
C    3.6647190866  -0.8718072781   0.6766612910
C    3.0977612081  -2.8598724630  -0.5638964200
C    0.9964243431   3.3974633058   0.7781333899
C    3.9476291068  -2.1714675446   0.2853155975
H   -3.3299717843  -0.9386068584  -1.1301266834
H   -0.2884052212   0.1505264619   0.8389470314
H   -3.2358472169  -2.2990355570   0.8766504661
H   -2.5844241146  -0.9617452690   1.8171650275
H   -0.5852503804  -2.1798027688   0.9851596159
H   -1.2995765105  -2.2897051583  -0.6192095215
H   -4.4157957840   0.8873210355   1.0422570886
H   -2.1768807663   1.5301292572   1.4885898543
H   -2.9179559196   2.4390700323   0.1797202389
H    0.6266633678   0.7837945303  -1.4084338718
H    0.0424436306  -0.7405787476  -2.0503637297
H   -2.0391404067   0.3260075372  -2.3799816563
H   -6.5325069194  -0.3965968025   0.7213444984
H   -5.2671579944  -1.3743762436   1.4460249622
H   -5.6631699806  -1.5711630344  -0.2613459377
H   -6.0746215476   1.4967781057  -0.7084355586
H   -5.2469406606   0.4662202237  -1.8726198536
H   -4.4623203100   1.9144137391  -1.2631336967
H   -1.1477367586   3.6886659580  -1.4715808804
H    2.2975616439   0.7545579800   0.5115184901
H    1.2924576957  -2.7710197695  -1.6959295847
H    4.3332799604  -0.3357873252   1.3364301031
H    3.3238725190  -3.8723676896  -0.8695127082
H    1.9256006177   3.5861800941   1.2927880049
*