! 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  -0.5316027724  -0.4909368804   2.5794732278
Cl   1.9013193962  -4.0695616558  -0.5248360675
O   -1.7259595848   1.4740539188   0.7343403077
O   -0.7075408077   2.0107844937  -1.1614805756
N    1.8239550542   2.2372976346   0.3932476506
N    2.6954733986   1.4096565797   0.9769925738
N    3.5442170663   2.2219012085  -0.9349337599
C   -0.4827733651   1.4533873767   0.1014318769
C   -2.7325045424   1.2795031786  -0.2602483158
C   -1.9834823267   1.5476055464  -1.5771586304
C   -3.3545725910  -0.1030942522  -0.1875040373
C    0.4722259346   2.3669250885   0.8754278337
C    0.0856662638   0.0400163278  -0.0302182612
C   -4.5205409027  -0.2519335788  -1.1578823330
C    0.1070050682  -0.8763759165   1.0181244602
C    0.6742348057  -0.3528351758  -1.2283045379
C   -5.1148509081  -1.6509436194  -1.1328698738
C    0.6572619241  -2.1408191075   0.8753904732
C    1.2362190077  -1.6061709777  -1.3998456143
C    2.3390086674   2.7003469551  -0.7471309977
C    1.2157528266  -2.4941963389  -0.3401167895
C    3.7047139783   1.4383522819   0.1484774478
H   -3.5028524755   2.0354104798  -0.0857354719
H   -1.8908129813   0.6386967963  -2.1817031555
H   -2.4486509157   2.3195585248  -2.1874006926
H   -3.7060127856  -0.2864524894   0.8312017646
H   -2.5963664315  -0.8631559606  -0.4028186192
H    0.4701769912   2.1170058047   1.9334483784
H    0.1468726788   3.4020788331   0.7730367942
H   -4.1964797303  -0.0191039111  -2.1769315204
H   -5.2927573851   0.4818843287  -0.9109984391
H    0.6988442175   0.3335980736  -2.0630054205
H   -5.4618148406  -1.9171598434  -0.1330298481
H   -5.9656314074  -1.7342304470  -1.8096894255
H   -4.3790258483  -2.3979661356  -1.4352674664
H    0.6527857902  -2.8349914473   1.7041136911
H    1.6805816578  -1.8773126754  -2.3469280104
H    1.8184098977   3.3896860177  -1.3921793941
H    4.6036474834   0.8729902528   0.3370159244
*
