! 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   0.7217632683  -1.2752081558   2.5703297368
Cl   4.4529810893  -1.3035158289  -1.2318118185
O   -2.0314227257   0.0060102299  -0.7646517934
O   -1.8770278913  -1.1797885313   1.1283215818
N   -0.5502235509   2.1688350654   0.5861985988
N    0.7179467917   2.4161196216   0.9287107464
N    0.1559697324   3.5890309352  -0.8998042015
C   -1.2600318433  -0.1687907362   0.3926828289
C   -2.9462720304  -1.0851831131  -0.9044510926
C   -2.4708678248  -2.0472380906   0.1773915420
C   -1.3096679622   1.1229877747   1.2211661433
C    0.1752398961  -0.5175820526  -0.0003733199
C   -4.3768584648  -0.6123620558  -0.7195534868
C   -4.7826772100   0.4765108989  -1.7000467902
C    1.1184614192  -0.9917583980   0.9083699314
C    0.6087182060  -0.2850975162  -1.3019101222
C    2.4306526369  -1.2438631235   0.5393408472
C    1.9146525629  -0.5188681740  -1.6978351100
C   -0.8620898224   2.8617971731  -0.5110253992
C    2.8161576211  -1.0008797184  -0.7670850940
C    1.0916694154   3.2720781755   0.0154485540
H   -2.8215776046  -1.5153765133  -1.9020408173
H   -3.2797119189  -2.5939678625   0.6603435502
H   -1.7434924874  -2.7688843437  -0.2089533144
H   -0.8994887799   0.9686460980   2.2159145132
H   -2.3468006090   1.4404699384   1.3288475329
H   -4.5209144426  -0.2687804761   0.3093059423
H   -5.0265707842  -1.4816926232  -0.8496241809
H   -4.1942666366   1.3839280941  -1.5647032211
H   -4.6565137897   0.1476762242  -2.7330642519
H   -5.8305477764   0.7448791502  -1.5678691830
H   -0.0879633166   0.0925565481  -2.0359376689
H    3.1398413575  -1.6175604126   1.2646107434
H    2.2156279420  -0.3254910790  -2.7177254466
H   -1.8345342994   2.8239041219  -0.9750172546
H    2.0843670493   3.6939220503   0.0133423319
*