! 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   6.7428326888  -0.3501012291  -0.0386391793
O   -1.7234682368   0.2835993627  -1.6280168985
N   -3.4151834842   1.5475825222   0.3006086142
N   -4.2302003039   1.2500420194   1.3189032037
N   -5.4221480869   1.7466650083  -0.5154840493
C   -1.4687342147   0.1164337824  -0.2520715258
C   -2.1037956567  -1.1356454637   0.4141070294
C    0.0348327248  -0.0740173237   0.0358673527
C   -1.2971194088  -1.2422698451   1.7215133256
C    0.0861260105  -0.6079555167   1.4666081454
C   -2.1117164922  -2.3792374527  -0.5084546938
C   -1.9802615257   1.4063339641   0.4008385358
C    0.9128647811   1.1483369278  -0.2337103656
C   -2.0757056893  -3.7005520650   0.2553944596
C   -3.3668345892  -2.3681343597  -1.3850924950
C    2.3745966914   0.8045602208  -0.1842400103
C   -4.1399016124   1.8311268809  -0.7806268550
C    3.1319868330   1.0173679719   0.9635491464
C    3.0004962986   0.2266906232  -1.2867227195
C    4.4735025447   0.6656808693   1.0188926169
C    4.3393336122  -0.1307713877  -1.2529520388
C   -5.4142269823   1.3854155389   0.7791938872
C    5.0659582855   0.0921568423  -0.0937191089
H   -3.1519086793  -0.9487183083   0.6634453193
H    0.3698317185  -0.8714402561  -0.6406619175
H   -1.2178270271  -2.2646131013   2.0838799069
H   -1.8194437898  -0.6925486889   2.5061148960
H    0.2751910065   0.2038286578   2.1735299046
H    0.8980689330  -1.3230075042   1.5969852651
H   -1.2289833374  -2.3760188666  -1.1618370589
H   -1.5240234839   2.2736178245  -0.0768575602
H   -1.7271751463   1.4476480657   1.4582823945
H    0.7023733859   1.9323808261   0.4977912342
H    0.6715729533   1.5561118682  -1.2188860421
H   -1.4247630084  -0.5017751943  -2.0991696992
H   -2.8698585369  -3.7477013758   1.0043926150
H   -2.2264293629  -4.5346829504  -0.4320142136
H   -1.1257359672  -3.8718589121   0.7605114162
H   -4.2543139789  -2.5370961610  -0.7702866721
H   -3.3309365541  -3.1614341249  -2.1333742921
H   -3.5161320046  -1.4243395844  -1.9074808872
H   -3.7041035173   2.1122010336  -1.7244667386
H    2.6755450259   1.4698424831   1.8353043657
H    2.4364203198   0.0543313076  -2.1956451961
H    5.0455230588   0.8424867466   1.9194817444
H    4.8072652822  -0.5735500071  -2.1216352626
H   -6.3136399319   1.2209257631   1.3515040665
*