! 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  -4.5508204540  -1.5469025509   0.3675483920
O    1.5543745821   0.2276854473  -1.7351641919
N    0.6211614225   2.1610410128   0.3248649965
N    0.4291900959   2.7127343800  -0.8787165972
N   -1.1277545199   3.4299023417   0.5618694401
C    3.6407279719  -0.9571621187  -0.0638522013
C    4.3471040505  -0.4202341804   1.1442407342
C    4.6065675893  -1.8216562499   0.6852736258
C    2.1678595848  -1.3023948852  -0.0213379997
C    1.2684573594  -0.1016713805  -0.3955731748
C    1.8837586532  -2.5126170034  -0.9063784047
C    1.5917150770   1.1067395034   0.5092694671
C   -0.2008591909  -0.4700672760  -0.2162748661
C   -0.6988400797  -0.7852675502   1.0470213601
C   -1.0793964545  -0.4957913018  -1.2923221559
C   -2.0298913406  -1.1175378465   1.2366184745
C   -2.4169495863  -0.8261673851  -1.1215850205
C   -0.3229528710   2.5827674266   1.1613892851
C   -2.8822924105  -1.1341678502   0.1439643706
C   -0.6255797966   3.4644001151  -0.6833138491
H    3.9935890601  -0.5862868804  -1.0205502546
H    3.7746134228  -0.2887493418   2.0548890010
H    5.1196431443   0.3238442914   0.9978361417
H    5.5603774650  -2.0461890233   0.2255834169
H    4.2021241347  -2.6305323682   1.2826821757
H    1.9201178632  -1.5799591150   1.0099624278
H    2.1350228063  -2.3230550154  -1.9500180097
H    0.8381711934  -2.8186705137  -0.8631970172
H    2.4836040803  -3.3604910146  -0.5750518388
H    2.5836141465   1.4940354886   0.2816145190
H    1.5780892585   0.8364500257   1.5631192217
H    1.1793917918   1.1020764746  -1.9233549896
H   -0.0501257692  -0.7799237999   1.9143727161
H   -0.7331747380  -0.2685544275  -2.2907040761
H   -2.3932065711  -1.3587706169   2.2260717922
H   -3.0824908544  -0.8425237365  -1.9738240441
H   -0.3757476399   2.2680507095   2.1912794353
H   -1.0434533219   4.0667676875  -1.4742717447
*