! 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   5.1334686016  -2.1150883915   0.1032733862
O    0.2919172217   1.1758505045  -0.1192468816
O   -1.0225846783  -0.5910860415  -1.5938312928
N   -1.8377379964   1.8603403549   0.2337200796
N   -2.2609666259   2.5430383502   1.3045210047
N   -3.1292479943   3.4012781337  -0.5790685499
C   -2.5776140269  -1.3227877213   0.0866503260
C   -1.4966883741  -0.4322804219  -0.4980314887
C   -0.9495255779   0.7410045443   0.3578912611
C   -1.9216129304  -2.1904428656   1.1734978762
C   -3.7091689622  -0.5025206785   0.7164870292
C   -3.1431147578  -2.2222922874  -1.0080068421
C    1.3747235249   0.3555177628  -0.0261134099
C   -2.3640959528   2.3865547276  -0.8800652347
C    2.4835409518   0.7314304462  -0.7779965871
C    1.4320956155  -0.7767476589   0.7746715149
C   -3.0306964021   3.4481367538   0.7662621391
C    3.6409531929  -0.0233211330  -0.7352145412
C    2.5924583307  -1.5389660494   0.8115962813
C    3.6879025882  -1.1612549579   0.0578647883
H   -0.9219648767   0.4846828322   1.4204170695
H   -2.6710964349  -2.8695435386   1.5820379807
H   -1.1087308874  -2.7988109436   0.7747360791
H   -1.5395058927  -1.6029821039   2.0100787738
H   -4.4747244460  -1.1879248483   1.0819374461
H   -4.1869518954   0.1637999473  -0.0038015519
H   -3.3849681736   0.0882358276   1.5729113035
H   -3.9164234914  -2.8643107739  -0.5850755051
H   -2.3823742729  -2.8695214968  -1.4436213452
H   -3.5998754060  -1.6451077200  -1.8128807854
H   -2.1626216855   2.0141322959  -1.8721664401
H    2.4395618911   1.6162826300  -1.3992274208
H    0.6037628276  -1.0905862858   1.3944533162
H   -3.5470053060   4.1784221578   1.3683380206
H    4.4972831381   0.2763408213  -1.3234463041
H    2.6262060122  -2.4208917474   1.4359510068
*