! 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   0.8489420903  -0.0077111559   2.1788864432
Cl   4.1441028510  -2.1947994823  -1.3685014384
O   -2.2055264807  -0.3447372523  -1.1158922217
O   -1.8042462595  -0.0125464900   1.0408031774
N   -0.3680952247   2.4598101973   0.3306325639
N    0.9143336627   2.6424854021   0.0005877216
N    0.4895134399   3.5150556048   2.0244131167
C   -1.2852536739   0.2241214922  -0.2276160775
C   -2.8398663703  -1.4482062746  -0.4608961317
C   -2.3482213632  -1.3197738664   0.9884397967
C   -1.2790887315   1.7287382184  -0.5090942090
C    0.0962926660  -0.4032552142  -0.4345175386
C   -4.3435071091  -1.3394008527  -0.6160878665
C   -4.8022373479  -1.3426088866  -2.0660158896
C    1.0764582583  -0.5347379324   0.5468467952
C    0.4250856091  -0.8326353159  -1.7188715748
C    2.3176297852  -1.0908416905   0.2665062895
C    1.6576726735  -1.3785642330  -2.0287587788
C   -0.5993240187   2.9731126732   1.5401024169
C    2.5970719872  -1.5075185952  -1.0211869721
C    1.3817605119   3.2731495952   1.0453839490
H   -2.4879341525  -2.3839379465  -0.9074141749
H   -3.1502003285  -1.3910687927   1.7227415849
H   -1.5925462805  -2.0741310512   1.2288752747
H   -2.2842536679   2.1204524575  -0.3506020729
H   -1.0085380024   1.9084808364  -1.5484297059
H   -4.6957892165  -0.4378851617  -0.1058850247
H   -4.7874846240  -2.1877154101  -0.0895009622
H   -4.4588721041  -2.2376466687  -2.5877941005
H   -5.8899207440  -1.3246560206  -2.1284061115
H   -4.4301370650  -0.4757008237  -2.6116177867
H   -0.3035218571  -0.7397049404  -2.5117610390
H    3.0562265320  -1.1893982170   1.0494100282
H    1.8733681786  -1.6980767826  -3.0385471645
H   -1.5673641979   2.9473749404   2.0139222902
H    2.4136026542   3.5835187037   1.0976483919
*