! 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   0.6593059295  -1.1912851013   2.3073132239
Cl   1.2443567418  -5.3822077300  -0.9280717694
O   -0.6745948411   0.8225958032   0.6430553544
O   -0.0795631785   1.1134599172  -1.4989220235
N    1.4307714666   2.6492421501   0.3770692722
N    1.2028812577   3.0928649348   1.6165223239
N    0.9500291222   4.7548218582   0.1296388504
C    0.3363129383   0.5585095035  -0.2848172807
C   -1.7793244149   1.4651520293   0.0058808019
C   -1.4926109282   1.2035211089  -1.4654119991
C   -3.0745239671   0.8889955658   0.5488622047
C    1.6480749819   1.2546105317   0.1010197064
C    0.5618060135  -0.9447136325  -0.4145300676
C   -4.3226308488   1.6938696294   0.1994550651
C    0.7043544691  -1.7901705812   0.6848602613
C    0.6634929276  -1.5192049109  -1.6775469651
C   -4.6603885732   1.7687796019  -1.2830460801
C    0.9121761257  -3.1530243730   0.5365715630
C    0.8720614589  -2.8766910891  -1.8551129739
C    1.2626748730   3.6460089488  -0.4946684101
C    0.9889861963  -3.6845015148  -0.7386819255
C    0.9252846859   4.3535416432   1.4153824826
H   -1.7364344989   2.5425307561   0.2177377759
H   -1.9572464628   0.2716088536  -1.8096637911
H   -1.7949097743   2.0121453042  -2.1273025216
H   -2.9914547488   0.8479778138   1.6374118133
H   -3.1841510711  -0.1443164133   0.2043559108
H    2.3617469296   1.1561619004  -0.7168693474
H    2.0962718396   0.8033829460   0.9825027258
H   -4.2254581036   2.7058439301   0.6028873693
H   -5.1641774422   1.2409072622   0.7280737389
H    0.5771132427  -0.8951600988  -2.5554041203
H   -4.7115217335   0.7760507186  -1.7343461359
H   -5.6295595521   2.2457362987  -1.4331771704
H   -3.9340815836   2.3547749620  -1.8470426125
H    1.0131305981  -3.7867261387   1.4064726190
H    0.9416696743  -3.2901204716  -2.8512689679
H    1.3997585110   3.5307042703  -1.5575085676
H    0.7046353507   5.0189501741   2.2350899007
*