! 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  -0.1960241234   2.9720224701   0.1004283125
Cl  -3.3551210873  -1.4474496442   0.1000872411
F   -0.7956541355  -2.6837531826  -0.5219408156
O    1.8196685504   1.0074478933  -0.5336245753
O    4.1570400536  -1.5742434724   0.1951791949
O    2.8382397221  -0.3948862142   1.5701121077
N    0.4940335441  -0.8636074447  -0.5226285976
N   -2.7920359754   1.4967379861   0.3582160028
C   -1.7289915915   0.7373702713   0.0846867634
C    0.6228720595   0.4421612579  -0.3742776835
C   -0.4429980077   1.2760195852  -0.0764697312
C   -1.8355267369  -0.6596660180  -0.0757945276
C   -0.7004824154  -1.3695498977  -0.3722225525
C    2.9204723695   0.1583811733  -0.7667491003
C    3.2754856884  -0.6262243431   0.4726211545
H    2.7619128835  -0.5064531713  -1.6170464787
H    3.7572830622   0.8149023985  -1.0120676937
H   -3.6845596497   1.0812157191   0.5605990978
H   -2.6873373599   2.4765299071   0.5565611840
H    4.4176512578  -2.0393502108   1.0055836335
*
