! 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   5.3961945953  -0.6075889023   0.2231825876
O   -0.3947086922  -0.3780844183  -0.6351366992
O   -3.5605556512   0.3077560010  -0.3722668861
N   -1.3071825073   1.6516214290   0.0680036232
N   -1.1875535248   2.4982605887   1.0987235127
N   -1.5382749404   3.6188476226  -0.8128219686
C   -2.8421069073  -1.8939656954   0.2456124688
C   -2.6628518415  -0.4022082540   0.0020820029
C   -1.2766562028   0.2277687144   0.2575477126
C   -4.2796821892  -2.1422468820   0.7084923039
C   -2.6152696285  -2.6155896396  -1.0933902378
C   -1.8758831973  -2.4359984119   1.3003299851
C    0.9460223495  -0.3746893544  -0.3704454367
C   -1.5254109667   2.3341650307  -1.0600049184
C    1.5396685268   0.3271934899   0.6691624250
C    1.7229201258  -1.1445572258  -1.2293826416
C   -1.3310999651   3.6590448509   0.5195654657
C    2.9148244891   0.2500546133   0.8494746457
C    3.0917716166  -1.2172442646  -1.0499811320
C    3.6817319565  -0.5183201912  -0.0063487383
H   -1.0070249011   0.0582137029   1.3052429162
H   -4.4955793791  -1.6298169868   1.6471365214
H   -5.0130916131  -1.8217982809  -0.0301373622
H   -4.4261362395  -3.2098802878   0.8752099157
H   -3.2892348267  -2.2461302849  -1.8669129604
H   -2.8140432564  -3.6799209316  -0.9607740325
H   -1.5932279714  -2.5137599677  -1.4543723125
H   -0.8300896381  -2.3769475674   0.9987339526
H   -2.0906800119  -3.4916065469   1.4703331501
H   -1.9873798286  -1.9255935784   2.2582611171
H   -1.6520037267   1.8714494469  -2.0255673264
H    0.9747156517   0.9486318161   1.3499933626
H    1.2551770926  -1.6898913049  -2.0387869144
H   -1.2790878532   4.5787599175   1.0798891653
H    3.3730703028   0.7995664925   1.6599162652
H    3.6890677206  -1.8199835283  -1.7199623667
*