! 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   0.1952080633   0.9705561033  -2.3425062299
Cl   2.8737081096   4.4420570163   0.6780565414
O   -1.3910195628  -0.6414553192  -0.4180821171
O   -0.4800717686  -1.2121430760   1.5546302019
N    0.0210453612  -3.0788973471  -0.5138291236
N    0.1372438612  -3.9967332712   0.4510142706
N   -1.4181286164  -4.6200053292  -1.0428618469
C   -0.1784225492  -0.7622277802   0.2613782621
C   -2.4489671051  -0.5768313089   0.5345795434
C   -1.8813657130  -1.4078298292   1.6733908826
C    0.6940241029  -1.8096687878  -0.4475859408
C    0.5763695703   0.5623896891   0.3400001993
C   -2.8007385082   0.8487756618   0.9278352987
C   -3.1831686211   1.7211299487  -0.2563161440
C    0.7870368021   1.3830559482  -0.7669561084
C    1.1170865619   0.9816899795   1.5522169377
C    1.4875586058   2.5764615115  -0.6725077581
C    1.8225495796   2.1663709565   1.6754271523
C   -0.9164978142  -3.4588327041  -1.3835765498
C    1.9991154404   2.9576495016   0.5547589732
C   -0.7381492438  -4.8959225175   0.0865907529
H   -3.3170256223  -1.0577588913   0.0785487373
H   -2.2069716846  -1.0668383507   2.6569106233
H   -2.1332709894  -2.4683691273   1.5743764846
H    1.6300272252  -1.9405491050   0.0921459785
H    0.9405849230  -1.4923074304  -1.4592424077
H   -3.6394720858   0.7890202786   1.6264995618
H   -1.9750266009   1.3053688769   1.4818693300
H   -3.4795782503   2.7162226996   0.0754311954
H   -2.3554354717   1.8411065478  -0.9549108453
H   -4.0238182654   1.2954674270  -0.8075406179
H    0.9838177987   0.3734676345   2.4346014251
H    1.6307534352   3.1947528455  -1.5475003245
H    2.2245846779   2.4610626609   2.6343834944
H   -1.1840950604  -2.8789938883  -2.2519437417
H   -0.8869441425  -5.7994166512   0.6565605926
*