! 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   0.6017621274  -0.8416376924  -2.7423881076
Cl   2.6733406176  -1.6276276653   2.1357029775
Cl   5.9012019005  -0.4492998629  -1.9914271776
O    0.5475288592  -1.4808696081   0.1322497748
O   -1.6249206929   1.6899562436   2.1556818180
N   -2.6197145188  -0.0607481222   1.1236237785
N   -3.7967189497   1.9311283023   1.5364824312
N   -5.0584266586   3.6972826823   1.1627938682
C   -3.5720870606  -0.5491038348   0.1239677135
C   -1.4189545040  -0.8634479552   1.3177245768
C   -3.0681952157  -0.4305508288  -1.3079853055
C   -0.1776189603  -0.3348603500   0.6010157433
C   -2.5943761277   1.1804141236   1.6249670233
C   -2.8466935906   1.0003653649  -1.7724274011
C    1.7746058571  -1.2123836206  -0.3549383861
C   -5.0761147513   1.5775205541   1.9030483167
C   -3.8498460066   3.2213469459   1.1076540595
C    1.9705740560  -0.9043928834  -1.6984456312
C    2.8957097129  -1.2557431223   0.4698587452
C   -5.8300318368   2.6822452031   1.6686470979
C    3.2325027007  -0.6717949972  -2.2178479103
C    4.1711304578  -1.0293363535  -0.0175046397
C    4.3192651988  -0.7354208328  -1.3624465471
H   -3.7802493500  -1.5925422458   0.3600197971
H   -4.5170623028  -0.0218276255   0.2173615135
H   -1.6485653708  -1.8592712545   0.9403236135
H   -1.2239248206  -0.9710880472   2.3848833069
H   -3.8220516559  -0.9040889512  -1.9408635407
H   -2.1575098392  -1.0201207284  -1.4407751068
H   -0.4461877166   0.3023147751  -0.2456524741
H    0.4509860373   0.2517969159   1.2722168384
H   -2.0642488726   1.5114106149  -1.2090758211
H   -2.5434751734   1.0209444904  -2.8189202705
H   -3.7590739378   1.5929945947  -1.6842145171
H   -5.3230866928   0.6154196667   2.3180615022
H   -2.9777481730   3.7475314273   0.7534740098
H   -6.8867354823   2.8023321571   1.8443156182
H    3.3609672412  -0.4428876356  -3.2662656732
H    5.0268372177  -1.0777222830   0.6407483209
*
