! 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   5.8847352960   0.2341657489  -0.3071391676
O   -2.5784508977   0.2592642143   1.7774812416
N   -2.2722888927  -1.8342991518  -0.3428111879
N   -1.4051773463  -2.1152317445  -1.3206664917
N   -1.0702740867  -3.4730505784   0.4323459349
C   -3.0197607558   1.8848206281  -0.0588128564
C   -2.4490647841   0.5164529159   0.4035274150
C   -2.3017822920   2.0853450609  -1.4044511599
C   -0.9956460289   0.6213155432   0.0167709798
C   -0.9254888253   1.4029545230  -1.2662819691
C   -3.0882851621  -0.6472184833  -0.3962369474
C   -2.5910567483   2.9771231040   0.9220059987
C   -4.5378010832   1.9067224557  -0.1945174944
C   -0.0042865650   0.1338326099   0.7638066753
C    1.4267267062   0.1623893358   0.4605118473
C   -2.0461060514  -2.6367793999   0.6972352764
C    2.3427738959   0.1993511320   1.5164519071
C    1.9344477061   0.1172397140  -0.8399198297
C   -0.7137891838  -3.1004361374  -0.8106895444
C    3.7084111382   0.2273924723   1.2925581800
C    3.2991959971   0.1399949125  -1.0814236064
C    4.1776329707   0.2022908937  -0.0119453499
H   -2.2131282508   3.1441371695  -1.6501555515
H   -2.8735005787   1.6295634896  -2.2153603001
H   -0.1043796337   2.1220573384  -1.2385310402
H   -0.7344164230   0.7507684316  -2.1211218683
H   -3.2153715010  -0.4010707464  -1.4479838054
H   -4.0777006440  -0.8788915797   0.0010936074
H   -1.5105203210   3.0009424450   1.0766434956
H   -2.8863536205   3.9533806257   0.5343111309
H   -3.0621059699   2.8601881191   1.8985576354
H   -4.9058422493   1.1937006003  -0.9332940599
H   -5.0340817455   1.6915848374   0.7553791097
H   -4.8738914865   2.8956301365  -0.5105812535
H   -3.5152218047   0.2349675146   2.0042998986
H   -0.2563586422  -0.3251918589   1.7142790170
H   -2.6234122734  -2.5986547202   1.6065147348
H    1.9811637880   0.2138371303   2.5371773616
H    1.2669348348   0.0362513457  -1.6853994586
H    0.0766337890  -3.5800234982  -1.3663988645
H    4.3961491851   0.2660319931   2.1262205463
H    3.6692028368   0.0992534596  -2.0968286485
*