! 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   0.0272101603  -0.9470585333   2.1661430546
Cl   0.2237957323  -5.1554437733  -1.0905215696
O   -0.5609942011   1.3329334623   0.3529370928
O    0.4558845030   1.4727651261  -1.6182239356
N    1.8696748069   2.6586890173   0.5910593176
N    1.5984791771   3.1106922049   1.8184791331
N    1.8807025289   4.8230274078   0.3954838903
C    0.5215185529   0.8424490897  -0.3714762684
C   -1.6240158481   1.6069174320  -0.5571719118
C   -0.9104750322   1.7100716693  -1.9142876902
C   -2.7088881571   0.5450250543  -0.5403820629
C    1.8421666275   1.2537641530   0.2827286873
C    0.4643115225  -0.6781245518  -0.5216945546
C   -3.4180056896   0.3951464078   0.7976547161
C    0.2254734616  -1.5368331098   0.5505696979
C    0.6592767591  -1.2599732211  -1.7701088566
C   -4.4790969118  -0.6939162932   0.7612749376
C    0.1489697541  -2.9108933803   0.3857747639
C    0.5911552332  -2.6296658187  -1.9645993861
C    2.0222818670   3.6874892719  -0.2435675590
C    0.3269940259  -3.4442886575  -0.8787117774
C    1.6229600926   4.4056034481   1.6492057176
H   -2.0515850269   2.5683111966  -0.2611961592
H   -1.2890273239   0.9697870101  -2.6265335407
H   -1.0006454245   2.6975651259  -2.3658780017
H   -2.2905925915  -0.4181857534  -0.8515222543
H   -3.4381970520   0.8205013908  -1.3096908186
H    2.6587119379   1.0146452973  -0.3980258645
H    2.0188406388   0.7089062175   1.2061582981
H   -3.8771855597   1.3487486956   1.0750763165
H   -2.6887333468   0.1639786494   1.5770479814
H    0.8660688469  -0.6319707766  -2.6250121615
H   -4.0374996978  -1.6664226479   0.5348730808
H   -4.9947052267  -0.7828555373   1.7181011398
H   -5.2336393129  -0.4911316977  -0.0012686750
H   -0.0456195420  -3.5518347921   1.2343301001
H    0.7404807962  -3.0464136356  -2.9505782704
H    2.2573765990   3.5703757530  -1.2888583577
H    1.4506062334   5.0830473514   2.4708518810
*