! 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   0.6058412591  -1.4937092494   2.4551672313
Cl   4.4535447375  -1.5529680379  -1.2245493639
O   -1.9329454110   0.2517696808  -0.8419182682
O   -1.9161248462  -1.0775404097   0.9463184854
N   -0.5051311921   2.2742412407   0.6375105637
N   -1.1239738663   3.1303309390  -0.1798441183
N    1.0700863372   3.5939752526  -0.0716173058
C   -1.2063495097  -0.0620763501   0.3071950379
C   -2.7209085315  -0.8794786427  -1.2222393587
C   -2.4577126645  -1.8779137300  -0.0902084480
C   -1.1854758566   1.1570619454   1.2367899036
C    0.2134155732  -0.4969039676  -0.0646465645
C   -4.1714423711  -0.4640714497  -1.3961036530
C   -4.8139473516   0.1624916031  -0.1681920991
C    1.0820223366  -1.1166881544   0.8331017551
C    0.7119711730  -0.2090432546  -1.3318403753
C    2.3831480910  -1.4476083283   0.4854173869
C    2.0058177898  -0.5279201783  -1.7074059854
C    0.7982511263   2.5577366760   0.6807699290
C    2.8324439680  -1.1481931516  -0.7884309468
C   -0.1428014550   3.8992495812  -0.5711091642
H   -2.3471982712  -1.2764767123  -2.1705608321
H   -3.3583196732  -2.3670213498   0.2801028094
H   -1.7492196006  -2.6535705790  -0.3977706771
H   -0.6851094635   0.9130934990   2.1723520280
H   -2.2058063284   1.4536595869   1.4746000919
H   -4.7275892143  -1.3552941065  -1.6983853349
H   -4.2373814648   0.2293471287  -2.2385126423
H   -5.8563251864   0.4071164819  -0.3729937422
H   -4.8067046703  -0.5048829245   0.6949020633
H   -4.3163610578   1.0888874323   0.1194299879
H    0.0757839171   0.2829426405  -2.0534613557
H    3.0335509551  -1.9287598730   1.2024852770
H    2.3577462086  -0.2898503800  -2.7011959402
H    1.5020967210   2.0042729898   1.2827678369
H   -0.3100925118   4.7248571630  -1.2446073018
*