! 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   2.5147882946  -0.6452162413  -1.7625907186
Cl   0.5815206743  -5.4365552700  -0.4755742842
O   -1.0476335939   0.9104840419   0.5399134785
O    0.2598777181   1.2274759656  -1.2543340807
N    1.1110291993   2.5214691033   1.1542634893
N    0.4707908442   2.9521805433   2.2448824886
N    0.9125213060   4.6668899513   0.8665449366
C    0.1907085961   0.5809689545  -0.0175347002
C   -1.8408619036   1.6193680129  -0.4128033912
C   -1.0721199701   1.3858695968  -1.7024251990
C   -3.2688767210   1.1176209528  -0.4638758972
C    1.3017597990   1.1196506768   0.8923819803
C    0.3099142418  -0.9349103116  -0.1631159670
C   -4.1506393609   1.5160212457   0.7146086514
C    1.3090985547  -1.5534540091  -0.9134331727
C   -0.5933564422  -1.7634782927   0.4965909787
C   -3.7708341589   0.8887788450   2.0484495902
C    1.3988408125  -2.9337704772  -1.0163551128
C   -0.5265698154  -3.1436616940   0.4134206877
C    1.3525917397   3.5507303014   0.3400488670
C    0.4741722349  -3.7174535575  -0.3496149864
C    0.3830196700   4.2373009056   2.0280571045
H   -1.8309591292   2.6856129034  -0.1514357158
H   -1.4247214309   0.4874294108  -2.2245165617
H   -1.1170209435   2.2282365286  -2.3904719496
H   -3.2631003666   0.0296427722  -0.5870427922
H   -3.7109240844   1.5256013835  -1.3783756545
H    2.2810827567   0.9690239865   0.4417570907
H    1.2931533355   0.5928156067   1.8441965063
H   -5.1789339007   1.2362557641   0.4729806978
H   -4.1522090032   2.6061719877   0.8080214387
H   -1.3780368146  -1.3228509152   1.0942092638
H   -4.5125284047   1.1292559977   2.8113042686
H   -3.7207445849  -0.1994770395   1.9738608220
H   -2.8056453889   1.2400452888   2.4110681520
H    2.1808220784  -3.3863016164  -1.6098307864
H   -1.2477255923  -3.7551547862   0.9371073822
H    1.8666753508   3.4507988914  -0.6018419102
H   -0.0766157214   4.8990679141   2.7451371068
*