! 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   1.3860323010   1.7260644420   2.0334842447
Cl   4.6962364796  -0.0298256321  -1.7517953943
O   -1.6130952229  -1.0127004415   0.0710348182
O   -0.9107407922  -0.1640741521   2.0124096609
N   -1.3790707133   1.6953078863  -1.0862406488
N   -0.3987862361   2.5072648821  -1.4929709875
N   -1.4107753807   1.5556624121  -3.2549485599
C   -0.8608173485   0.0277940134   0.6331148579
C   -1.7574459863  -2.0689578800   1.0267032041
C   -0.9164326481  -1.5691590790   2.2000930703
C   -3.2272871599  -2.2703352531   1.3502656024
C   -1.5457821343   1.3605663577   0.3053646068
C    0.5666865713  -0.0117815934   0.0872413408
C   -3.4759579116  -3.5027144970   2.2107081747
C    1.6114758691   0.7279636173   0.6367272977
C    0.8469820894  -0.7515214636  -1.0572786527
C   -4.9483317833  -3.6853882351   2.5437129349
C    2.8833316196   0.7225199647   0.0854769624
C    2.1049086389  -0.7706205600  -1.6355034713
C   -1.9604838785   1.1283397484  -2.1448564721
C    3.1159659309  -0.0293392028  -1.0525462111
C   -0.4617697027   2.3915240085  -2.7923304553
H   -1.3372336443  -2.9872513714   0.6058339568
H   -1.3486013239  -1.7856605597   3.1764046106
H    0.1000257319  -1.9753531701   2.1750065150
H   -3.7832147517  -2.3704994031   0.4133775116
H   -3.6155697559  -1.3783203876   1.8540907978
H   -1.1274881780   2.1720537967   0.8950459486
H   -2.6076535402   1.2857020973   0.5382885687
H   -2.9046295953  -3.4352539194   3.1412676780
H   -3.1040544044  -4.3901415564   1.6906003124
H    0.0626248507  -1.3313182647  -1.5215475545
H   -5.5511643224  -3.7872979908   1.6396406589
H   -5.1109389088  -4.5773925555   3.1493058841
H   -5.3364737692  -2.8325864059   3.1031910498
H    3.6761511269   1.3031052825   0.5357444670
H    2.2846667757  -1.3556201979  -2.5263207973
H   -2.7826516486   0.4359148947  -2.0651703270
H    0.2026589977   2.9425422341  -3.4390429304
*
