! 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  -5.4301148539  -0.5773731544   0.6553304845
O    3.6459836840   0.5317534976  -0.1906283929
O    0.2863343973  -0.5735841054  -0.6287582392
N    1.1830717248   1.5624954851  -0.5570573945
N    1.5676442622   1.8209738917  -1.8131861038
N    0.7463682929   3.6703338695  -0.8452395306
C    2.9605726386  -1.5670575964   0.7231868204
C    2.6259060850  -0.4321839589  -0.2710888902
C    1.2531316383   0.2290709394  -0.0080954238
C    3.2074434915  -1.0235707353   2.1325991473
C    1.8437528661  -2.6120975915   0.7842867347
C    4.2317652417  -2.2608404033   0.2245937939
C    0.6918379511   2.6728254777   0.0005121130
C   -1.0237831202  -0.4991004965  -0.2706191365
C    1.2897674077   3.0917739841  -1.9349227375
C   -1.9175887164  -1.0921039747  -1.1585269967
C   -1.4980895408   0.0795882031   0.9002746580
C   -3.2705587431  -1.1191352801  -0.8772327185
C   -2.8579667907   0.0534868848   1.1821886551
C   -3.7356683063  -0.5442218382   0.2968767339
H    2.5809267604  -0.8680970664  -1.2780113801
H    1.0843739165   0.3375469973   1.0660504909
H    2.3259429982  -0.5374751682   2.5561371478
H    3.4642281134  -1.8446350884   2.8042536526
H    4.0303758032  -0.3102024269   2.1649005186
H    2.1825178256  -3.4660295727   1.3737629576
H    1.5738048356  -2.9874715026  -0.2039869401
H    0.9370887816  -2.2424721425   1.2658270264
H    4.5061074572  -3.0750255081   0.8978252958
H    5.0810938649  -1.5800362045   0.1715311442
H    4.0849555821  -2.6930712367  -0.7678773479
H    3.6559391549   1.0340174546  -1.0125899135
H    0.3251824112   2.7139776323   1.0140457340
H    1.4933776734   3.6285524503  -2.8479151143
H   -1.5476438312  -1.5388024571  -2.0721658918
H   -0.8451135404   0.5431169422   1.6262325835
H   -3.9543146483  -1.5843930805  -1.5737543351
H   -3.2168447167   0.5009281294   2.0986991323
*