! 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   4.6917712109   1.2087767944   0.2341146945
N   -3.3284424585   0.5587186977   0.0904968874
N   -3.5630057104   0.7888940423   1.3870366086
N   -3.4922951037   2.7203432896   0.2455379142
N   -1.4752031653  -3.5187801156  -1.4527241978
C   -1.5943090292  -1.2142808973  -0.2213932778
C   -1.3183703760  -1.5109796509   1.2727417398
C   -3.0701285986  -0.7552849865  -0.4273570866
C   -0.6572957775  -0.1982616382  -0.8687138199
C   -0.0210229104  -2.2608495444   1.5941058999
C    1.2255272463  -1.4763509838   1.3015538761
C   -1.5070116076  -2.4955711939  -0.9252757762
C   -0.2647433491  -0.3301848118  -2.1970811330
C   -0.2302386232   0.9184767694  -0.1561166335
C    1.6488623978  -0.4789390450   2.1750067407
C    1.9353297489  -1.6650600087   0.1206821972
C    0.5718268923   0.6065090866  -2.7869064265
C    0.6115761389   1.8503543579  -0.7418830762
C   -3.2787301471   1.7179962977  -0.5692797605
C    1.0236937693   1.6948851703  -2.0571085473
C    2.7216510975   0.3415150218   1.8644859796
C    3.0067920307  -0.8516874296  -0.2122840146
C   -3.6540347681   2.0924380881   1.4260790343
C    3.3807967757   0.1563297971   0.6602012500
H   -2.1525504354  -2.1105531902   1.6424623257
H   -1.3524697124  -0.5773736752   1.8327377569
H   -3.2989561641  -0.7372279011  -1.4917633004
H   -3.7503750299  -1.4604292432   0.0478727918
H    0.0002842024  -3.2166341401   1.0653433556
H   -0.0594798505  -2.5057668611   2.6574757093
H   -0.5943571889  -1.1757543953  -2.7884543022
H   -0.5249921494   1.0677471448   0.8739112146
H    1.1207232112  -0.3207310683   3.1079878696
H    1.6371982333  -2.4452048832  -0.5696518236
H    0.8746023047   0.4764659399  -3.8176702231
H    0.9526360626   2.6969134564  -0.1609878853
H   -3.1039227423   1.7794417020  -1.6317866494
H    1.6893906692   2.4178699261  -2.5097783448
H    3.0287067340   1.1218218686   2.5477563589
H    3.5320365883  -0.9963820467  -1.1462678989
H   -3.8567268860   2.6148729447   2.3477025823
*