! 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   4.0612399378   0.7222048652   3.7886559995
N   -1.1358080049   1.4665190647   0.0923697607
N   -1.7144201731   1.3382913547   1.2909521979
N   -2.7306178444   2.9421669039   0.0946185220
N   -1.9665348412  -2.1098447620   0.7659515794
C   -0.6334584202  -0.7165824302  -0.9988122880
C    0.5345068940  -1.6083390099  -1.5037799146
C   -0.0895686625   0.5766207687  -0.3345659740
C   -1.5447406393  -0.3065844306  -2.1519750592
C    1.2628508217  -2.4752209628  -0.4738117611
C    1.9790836565  -1.7140956025   0.6055566003
C   -1.3937632306  -1.4791291862  -0.0084076505
C   -0.9705855667   0.1631230954  -3.3319039722
C   -2.9299538847  -0.2958061666  -2.0312883759
C    1.5216074311  -1.7179189699   1.9196390495
C    3.1054055888  -0.9518085143   0.3008020184
C   -1.7664493021   0.6215613779  -4.3703689011
C   -3.7267249314   0.1637244208  -3.0717397969
C   -1.7621875911   2.4129472984  -0.6104534509
C   -3.1490792473   0.6231450825  -4.2446538913
C    2.1538331922  -0.9717656116   2.9050336411
C    3.7516446082  -0.2026094701   1.2703640486
C   -2.6560601564   2.2429359014   1.2433805899
C    3.2639458872  -0.2162504948   2.5686577464
H    1.2566322773  -0.9614753109  -2.0051187053
H    0.1323621550  -2.2740143018  -2.2680229949
H    0.5299900130   0.3539765561   0.5295486078
H    0.5318218893   1.0968824880  -1.0617448002
H    1.9864189391  -3.0697666654  -1.0360093237
H    0.5697254396  -3.1908617260  -0.0287169460
H    0.1045850295   0.1830705950  -3.4540128920
H   -3.4098937161  -0.6418713549  -1.1244786656
H    0.6509299823  -2.3035121849   2.1868043359
H    3.4887351200  -0.9355393243  -0.7124802419
H   -1.3017620814   0.9797559592  -5.2792722300
H   -4.8025485091   0.1625370467  -2.9578728293
H   -1.4696604626   2.6941705201  -1.6099406994
H   -3.7695653969   0.9815454536  -5.0551562175
H    1.7792723522  -0.9828490309   3.9194502850
H    4.6242662875   0.3829077288   1.0150557242
H   -3.3159260126   2.4119854071   2.0795310571
*