! 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  -0.1795951081   1.1367362525  -2.5420784412
Cl   3.8440822743   2.5998211620   0.6227128510
O   -2.2807876822   0.1240591237  -0.7367819639
O   -1.6932398744  -0.9872822485   1.1315259334
N    0.1178599691  -2.6201332009  -0.4777756252
N   -0.0763188822  -3.5313292061   0.4798203303
N    2.1127973717  -3.3229822195   0.0265647841
C   -1.2387434816  -0.5871916025  -0.1305359005
C   -3.2457787704   0.4622987058   0.2577047231
C   -3.0779141674  -0.6896967261   1.2326796429
C   -0.9565620714  -1.8213864365  -1.0069255539
C    0.0201171713   0.2570291698   0.0440365862
C   -2.9958352527   1.8389577271   0.8546381061
C   -4.1472399777   2.2893579781   1.7411628232
C    0.5582733578   1.0368071473  -0.9782758368
C    0.7207911490   0.2173351181   1.2467121491
C    1.7277548006   1.7635510485  -0.8083009153
C    1.8929774083   0.9267567507   1.4419764710
C    1.4235894474  -2.5014468443  -0.7247513855
C    2.3849802890   1.7010342909   0.4069076454
C    1.1424715907  -3.9238081292   0.7407081378
H   -4.2260519714   0.4407801583  -0.2239481173
H   -3.3032680417  -0.4328197749   2.2677289997
H   -3.6869032855  -1.5533647177   0.9484809243
H   -0.6912159201  -1.5223539936  -2.0195818690
H   -1.8521476061  -2.4381955200  -1.0705320001
H   -2.0631293768   1.8411186681   1.4263749173
H   -2.8640719956   2.5510781437   0.0368098825
H   -4.2942212016   1.6228576699   2.5925994818
H   -3.9618294573   3.2860677517   2.1405561417
H   -5.0857646047   2.3262705612   1.1852395210
H    0.3474683747  -0.3816270867   2.0641493429
H    2.1167245130   2.3662682902  -1.6170728705
H    2.4090873040   0.8706063411   2.3898565038
H    1.8232388827  -1.8283120701  -1.4674270202
H    1.3414986319  -4.6868973591   1.4766087619
*
