! 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   0.1078281147  -0.8532884390   2.8268993570
Cl  -4.4450090899  -1.1214719091   0.0237838129
O    3.5353846064  -1.3585089814  -0.4238670526
N    2.1950948440  -1.5912445825  -0.3500636582
N    1.2375746201   3.0074760353  -2.3617395216
C    2.0456053561   0.7400368520   0.5218527334
C    1.5233708314  -0.6135186396   0.1117169583
C    0.0527109385  -0.8058632103   0.1199954483
C    1.3566602458   1.8032528659  -0.2884725882
C   -0.6921307778  -0.8700444719   1.2925480298
C   -0.6362371250  -0.8599856906  -1.0879823659
C    0.2047934211   2.4409645503   0.1534996350
C    1.8222988251   2.1293354769  -1.5564906240
C   -2.0739494714  -0.9696969835   1.2792738441
C   -2.0153362575  -0.9637720180  -1.1346868683
C   -2.7212592531  -1.0098780748   0.0559296039
C   -0.4190115718   3.3569915367  -0.6770880706
C    0.1331992017   3.6024868193  -1.9235193776
C    4.1971139201  -2.4969102227  -0.9463232556
H    1.8507302859   0.8987012279   1.5839092971
H    3.1240412344   0.7975911895   0.3883968933
H   -0.0803661267  -0.8010966571  -2.0140401621
H   -0.2000771715   2.2264795578   1.1351208713
H    2.7190917924   1.6507519918  -1.9374453747
H   -2.6303206602  -1.0207688883   2.2044265338
H   -2.5271269655  -0.9980045140  -2.0858556147
H   -1.3172946181   3.8723988477  -0.3672272474
H   -0.3333631043   4.3127801153  -2.5954413819
H    4.0719467188  -3.3703047665  -0.3033867108
H    5.2530640643  -2.2391205091  -0.9885794925
H    3.8518826964  -2.7402175916  -1.9531075445
*