! 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   0.6666705863   0.0992408259   2.8912004776
Cl   3.6483477088   2.7379550530  -0.6473918374
O   -2.1400986844  -0.5320615422  -0.5970598545
O   -1.9829304470  -0.1286210671   1.6152482981
N   -0.0070252372  -2.5143509558  -0.3622608543
N    1.3245315196  -2.4784972229  -0.2512420371
N    0.7269307059  -3.0008654579  -2.3496479550
C   -1.2686802433  -0.5847050053   0.4996432088
C   -3.3254774078   0.1770707692  -0.2294769838
C   -3.3589091288  -0.0570788622   1.2695629307
C   -0.8585896739  -2.0550922880   0.7063755014
C   -0.0422435363   0.2870911459   0.2562305068
C   -3.2792132766   1.6422674759  -0.6279201178
C   -3.1900465003   1.8600720589  -2.1293563382
C    0.8691008673   0.6248843308   1.2538967065
C    0.2464778143   0.7145815191  -1.0356612445
C    2.0007217469   1.3807612966   0.9880758504
C    1.3697755643   1.4665853447  -1.3330454827
C   -0.3443660804  -2.8161557006  -1.6173123560
C    2.2384289702   1.7975523529  -0.3095057478
C    1.7140194677  -2.7787608741  -1.4612137460
H   -4.1633028258  -0.3145582018  -0.7291215131
H   -3.8170353255   0.7585500414   1.8285619028
H   -3.8770258675  -0.9871911239   1.5228939277
H   -1.7504626972  -2.6805489237   0.7531981594
H   -0.3145228974  -2.1779103922   1.6392817640
H   -4.1954890569   2.1062970986  -0.2527870387
H   -2.4516020148   2.1461605754  -0.1197585832
H   -4.0421043858   1.4137309060  -2.6446316342
H   -3.1836932894   2.9240841880  -2.3660017444
H   -2.2851384169   1.4300401003  -2.5578331025
H   -0.4183153129   0.4516825054  -1.8447769729
H    2.6858430885   1.6352495320   1.7844724210
H    1.5579642895   1.7818552597  -2.3496326415
H   -1.3661388030  -2.9080020369  -1.9474921553
H    2.7601456729  -2.8494999521  -1.7139644810
*