! 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   0.4835389667   1.9782219566   1.2794818328
Cl   5.0132821237  -0.0169987148  -0.6517914220
O   -1.3643132813  -1.8019207673  -0.3356020576
O   -1.5801045476  -0.0256915460   0.9734784103
N   -1.3153412325   1.6600495619  -1.4971245690
N   -2.0224431165   2.6031626889  -0.8696166890
N   -0.2590692671   3.5110267840  -1.9212793930
C   -1.0080970766  -0.4519128091  -0.2186165683
C   -1.5098636166  -2.3459094893   0.9799596877
C   -1.4113945191  -1.1032320630   1.8785097938
C   -2.8291564072  -3.0885051846   1.0714480916
C   -1.6513832358   0.2644495182  -1.4101213454
C    0.5173291409  -0.3081962454  -0.2415684311
C   -2.9641745239  -3.8801147124   2.3660913711
C    1.2374832024   0.7234785751   0.3594675934
C    1.2449261573  -1.2384125605  -0.9826050733
C   -4.2900591375  -4.6198175004   2.4518828311
C    2.6186294180   0.8139466329   0.2416661943
C    2.6190342019  -1.1681435848  -1.1220148121
C   -0.2675475065   2.2153808287  -2.1091183633
C    3.2968235242  -0.1343164406  -0.5001638305
C   -1.3504620137   3.6869450273  -1.1524648656
H   -0.6807180252  -3.0321987337   1.1808736284
H   -2.1986711309  -1.0462436355   2.6301584628
H   -0.4445467287  -1.0456492348   2.3884562946
H   -2.9075022837  -3.7758406256   0.2240885331
H   -3.6549039406  -2.3749182702   0.9798087056
H   -2.7347948832   0.1729680761  -1.3463227594
H   -1.3270829862  -0.2204863753  -2.3299708085
H   -2.8671545335  -3.2133915173   3.2281739453
H   -2.1398930386  -4.5951161466   2.4405346880
H    0.7258272942  -2.0498808836  -1.4727836422
H   -4.4088178367  -5.3173542246   1.6208718487
H   -4.3667523064  -5.1932041029   3.3760951761
H   -5.1333295408  -3.9276164836   2.4231922660
H    3.1512764712   1.6224709576   0.7225357621
H    3.1452216246  -1.9095931168  -1.7061803222
H    0.4392978765   1.6475950328  -2.6940074113
H   -1.6681632045   4.6546817457  -0.7978486374
*
