! 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   0.5270589646  -2.0829468960  -1.6877049342
Cl   5.2205472580  -0.6322637762   0.4366594017
O   -1.0992529300   1.5269831178   0.2462940563
N   -2.8797803911  -0.7538678900   0.5926748547
N   -4.7823081251  -1.3900273205  -0.3260089841
C   -0.7247750244   0.2236246224  -0.0961054978
C   -1.4594046996  -0.7197990506   0.8517665222
C    0.7689759877   0.0091033846   0.0226104816
C    1.4236916260  -1.0123897893  -0.6579610568
C    1.5378198275   0.8194642508   0.8513650528
C   -3.8109885853   0.1849481345   0.9436482942
C   -3.5122613233  -1.6644494000  -0.1784154538
C   -0.8849267149   2.4810400107  -0.7640173726
C    2.7881796845  -1.2234935550  -0.5438569798
C    2.9033920035   0.6352540518   0.9893040864
C    3.5163522964  -0.3869143137   0.2844680229
C   -4.9776280011  -0.2299014109   0.3733665765
C   -1.2376404767   3.8438790396  -0.2803489885
C   -1.6553741186   4.1610958119   0.9383251200
H   -1.0391272279  -0.0036526684  -1.1246169410
H   -1.0761123939  -1.7342545077   0.7515024642
H   -1.2852048972  -0.4161986485   1.8848214187
H    1.0640570340   1.6218290149   1.4009290394
H   -3.5738295879   1.0346606375   1.5601251392
H   -2.9967609941  -2.5171424333  -0.5941278637
H    0.1619813533   2.4867675993  -1.0995204230
H   -1.4849735946   2.2430391573  -1.6537725381
H    3.2690692397  -2.0221004492  -1.0910286044
H    3.4759210570   1.2835702277   1.6374750203
H   -5.9449050186   0.2432171476   0.4341693665
H   -1.1230382687   4.6199523294  -1.0300058808
H   -1.8865008122   5.1870473634   1.1926783392
H   -1.7894391097   3.4276461955   1.7224935202
*
