! 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  -0.7056033181  -0.5773126255   2.3188594406
Cl   2.1798056465  -4.0063205453  -0.5568074094
O   -1.9180465210   1.2624839799   0.3014600209
O   -0.7134737220   1.9155129871  -1.4472394403
N    1.5887731829   2.1965033402   0.5562509681
N    2.2070575672   2.6495411878  -0.5368260296
N    3.6240059050   1.4532894441   0.7289922923
C   -0.6078775410   1.3495461198  -0.1734909060
C   -2.7837120960   1.0406784626  -0.8130102636
C   -1.9090567651   1.4110895430  -2.0215122548
C   -3.3002266598  -0.3857227877  -0.8753389041
C    0.1669537144   2.3113302443   0.7382769929
C    0.0741598051  -0.0186817949  -0.2439774511
C   -4.1166522920  -0.8311475099   0.3329120895
C    0.0650527399  -0.9320168022   0.8084496272
C    0.7928333364  -0.3715876363  -1.3822202244
C   -5.4015874402  -0.0421785732   0.5422980660
C    0.7044922632  -2.1589793975   0.7220437582
C    1.4437788974  -1.5878767304  -1.4966851130
C    2.4400987289   1.4735826226   1.2869413566
C    1.3850161809  -2.4775739767  -0.4396741880
C    3.4193848022   2.1842739498  -0.3831464847
H   -3.6167685461   1.7398083489  -0.7098611677
H   -1.7072359550   0.5403915003  -2.6549897201
H   -2.3497195777   2.1908444631  -2.6410898712
H   -2.4575244067  -1.0685440000  -1.0202176071
H   -3.9138856635  -0.4653195090  -1.7791668152
H   -0.0501460922   2.0912650041   1.7811899708
H   -0.1483799828   3.3357797144   0.5435960797
H   -3.4991774552  -0.7782032999   1.2323747255
H   -4.3644586255  -1.8872058954   0.2018092554
H    0.8493790220   0.3186711653  -2.2113376939
H   -5.2103890877   1.0024912525   0.7920501508
H   -6.0272963720  -0.0575298623  -0.3524237758
H   -5.9882883870  -0.4635766863   1.3593256483
H    0.6751467400  -2.8496791100   1.5531976705
H    1.9881836926  -1.8297883281  -2.3984339297
H    2.1638990508   1.0046049600   2.2185303544
H    4.1962672409   2.3874991549  -1.1031417637
*
