! 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   5.1755388811  -2.0627988128   0.3687805016
O    0.3235757112   1.1303242042  -0.4107599561
O   -0.9950540445  -0.9715250084  -1.3077027295
N   -1.8037946142   1.8624180910  -0.0654434164
N   -2.3151166245   2.6514840390   0.8886984976
N   -3.1460838480   3.1954076160  -1.1253265064
C   -2.5808897136  -1.1984421610   0.4769660616
C   -1.4486892166  -0.5261269596  -0.2848142423
C   -0.8724094926   0.8140046121   0.2378265505
C   -2.5833457073  -0.8401558030   1.9638072301
C   -3.9042636708  -0.7463635376  -0.1643483926
C   -2.4349948908  -2.7139545804   0.3199210980
C    1.4144129248   0.3494655019  -0.1724033389
C   -2.3129662667   2.1978111195  -1.2587388088
C    1.4831629745  -0.6146564383   0.8257839538
C    2.5137518967   0.5768492628  -0.9939620811
C   -3.1123074736   3.4260284342   0.2042606087
C    2.6450744005  -1.3564637756   0.9915222547
C    3.6715971309  -0.1600347493  -0.8258505774
C    3.7302447065  -1.1290868832   0.1658515948
H   -0.7587839068   0.8060619455   1.3236251711
H   -1.6491701801  -1.1162731611   2.4575907455
H   -2.7692238930   0.2183927862   2.1493938914
H   -3.3818815295  -1.3909038009   2.4616547191
H   -4.7245861527  -1.3096235314   0.2825172145
H   -3.9184753410  -0.9342473963  -1.2386836209
H   -4.1132209196   0.3111152364   0.0031965655
H   -1.4983404729  -3.0748443519   0.7484557556
H   -2.4747960923  -3.0271606442  -0.7223138452
H   -3.2501863172  -3.2113948485   0.8460503087
H   -2.0492051928   1.7060676418  -2.1826888088
H    0.6630319125  -0.8149835111   1.5031066739
H    2.4623236201   1.3297938322  -1.7696835360
H   -3.6957401191   4.1955183463   0.6845632271
H    2.6856596477  -2.1072151915   1.7684679522
H    4.5191797085   0.0219142725  -1.4720608737
*