! 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  -0.5406151410  -0.7470029606  -1.6301162545
Cl   4.7318565091  -0.1727297592  -1.3326965105
O   -1.6330687485  -0.4771531605   1.0139046279
O   -0.4809916566   0.2755517717   2.7538610560
N   -1.2516247428   2.2259941577  -0.2406540536
N   -2.3693231630   2.0168688435  -0.9416412231
N   -0.7552448994   2.8458985098  -2.2633793738
C   -0.6497122582   0.4295884459   1.3665719678
C   -1.3682151394  -1.6523225832   1.7726433748
C   -0.7876735900  -1.0777713486   3.0719837009
C   -2.6388154358  -2.4519277075   1.9500927210
C   -1.1372722879   1.8657508890   1.1473720721
C    0.6809479718   0.1889666568   0.6469621654
C   -3.2324361780  -2.9966727946   0.6539340613
C    0.8132497860  -0.2885187914  -0.6564706064
C    1.8514995881   0.5560442044   1.3087363340
C   -2.3447508822  -4.0091546908  -0.0559025251
C    2.0557282102  -0.4075223934  -1.2655396763
C    3.1002703950   0.4548227864   0.7229266960
C   -0.3004407616   2.7082717941  -1.0435089729
C    3.1887797962  -0.0325522778  -0.5691736147
C   -2.0214244396   2.4037173969  -2.1396566987
H   -0.6070837961  -2.2558451854   1.2633368956
H   -1.5097237639  -1.0874223821   3.8916771238
H    0.1072680856  -1.6162476480   3.3892617509
H   -3.3757385664  -1.8300187193   2.4669878360
H   -2.4121790928  -3.2845817462   2.6229980730
H   -0.4360642913   2.5513939756   1.6211746339
H   -2.1084209004   1.9993760938   1.6211554620
H   -3.4640038818  -2.1718305967  -0.0240035823
H   -4.1884829803  -3.4672064087   0.8936889695
H    1.7919600471   0.9402943887   2.3174152795
H   -1.4205148594  -3.5625026325  -0.4237080138
H   -2.0735696034  -4.8325209079   0.6077549689
H   -2.8566831201  -4.4384540620  -0.9178708432
H    2.1289160307  -0.7849775176  -2.2757567391
H    3.9838689052   0.7522239586   1.2694978378
H    0.6877219973   2.9658924658  -0.6948678091
H   -2.7153934104   2.3725539771  -2.9647411690
*