! 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   5.0071279401   3.7581715904  -0.4780540129
O   -1.9138739528  -1.1922512334   1.4836446931
N   -0.8410794230  -2.9425302006  -0.5559819508
N    0.1342298508  -3.0276256245  -1.4651138234
N    0.5741441882  -4.3664070467   0.2804955374
C   -1.8728372703  -0.7678170467   0.1362721527
C   -3.0326108618   0.1807711437  -0.2446389920
C   -0.6426599936   0.1356828971  -0.1223610257
C   -2.6310773227   1.5146598227   0.3935708411
C   -1.0924170074   1.5251617159   0.3769698768
C   -4.4812113771  -0.2746403595  -0.0092362360
C   -1.9522831850  -2.0303491065  -0.7136188878
C    0.6750831966  -0.3086929834   0.5197637193
C   -4.8900406555  -0.4675615905   1.4493607143
C   -5.4356057646   0.7122452363  -0.6807936409
C    1.7713498132   0.6928702657   0.2811601980
C   -0.5625168429  -3.7386562946   0.4747707474
C    2.3510720651   0.8256542718  -0.9792033348
C    2.2198688366   1.5283408863   1.2994450830
C    3.3437621165   1.7622363931  -1.2225202409
C    3.2119802916   2.4732507859   1.0776394056
C    0.9536265507  -3.8896334500  -0.9184845516
C    3.7651656889   2.5823902415  -0.1867936462
H   -2.9347160819   0.3135824826  -1.3299817729
H   -0.5001880161   0.1827103725  -1.2074526669
H   -3.0051051068   1.5953047957   1.4172485331
H   -3.0542515505   2.3591558707  -0.1494913060
H   -0.6956419962   2.3134390794  -0.2618362870
H   -0.6983723078   1.7191570196   1.3775923823
H   -4.6125308117  -1.2366597764  -0.5173626377
H   -1.9989402823  -1.7674900109  -1.7681651489
H   -2.8662757786  -2.5762009385  -0.4748676662
H    0.9941705516  -1.2721229541   0.1214014993
H    0.5365500902  -0.4382168253   1.5945647858
H   -1.9479510122  -0.4230630762   2.0631828495
H   -4.3594212416  -1.2864053661   1.9295953146
H   -4.7244326836   0.4341977941   2.0427256184
H   -5.9566110071  -0.6934516131   1.5085367022
H   -5.4190588032   1.6868017827  -0.1879896662
H   -6.4632996300   0.3472726075  -0.6405544523
H   -5.1829637592   0.8684195672  -1.7315232971
H   -1.2110894252  -3.8482472473   1.3280627382
H    2.0287559007   0.1840714763  -1.7910692569
H    1.7918759933   1.4441346641   2.2908354545
H    3.7836525814   1.8477342324  -2.2068621840
H    3.5457855351   3.1116157939   1.8843324154
H    1.8623884226  -4.1939629152  -1.4135156356
*