! 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   5.9146865785   1.7815500589  -0.3979564872
O   -2.4911599664  -0.8599717429  -1.4467185302
N   -2.5603664394   1.4934606959   0.1834050275
N   -1.7916225157   2.3957680091   0.8019345520
N   -2.6919164465   3.2811219792  -1.0497985340
C   -1.8746322728  -0.8665227775  -0.1692550085
C   -1.8414116093  -2.2647061060   0.4746018070
C   -0.3721314125  -0.5579518383  -0.3490749129
C   -0.7328673124  -2.9919201032  -0.3120662179
C    0.1542521956  -1.8841463080  -0.9264176157
C   -3.1572201945  -3.0341767405   0.6647858270
C   -2.6718135439   0.1291293513   0.6615563712
C    0.3780305930  -0.1794530313   0.9385733431
C   -3.9046303179  -3.4163350687  -0.6104165428
C   -2.8878110527  -4.2872476640   1.4973070771
C    1.7672631985   0.3086323698   0.6368911377
C   -3.0842147211   2.0352354458  -0.9154770068
C    1.9570250260   1.5441092397   0.0176160781
C    2.8919385937  -0.4526893379   0.9375901164
C    3.2237258647   2.0047201556  -0.3024002784
C    4.1709282783  -0.0084630341   0.6275557019
C   -1.9023119061   3.4437232075   0.0267223436
C    4.3241502290   1.2178369936   0.0043659474
H   -1.4604021209  -2.1007557712   1.4893793715
H   -0.2580337069   0.2621337521  -1.0643016609
H   -1.1470785584  -3.6307818254  -1.0949657374
H   -0.1624035382  -3.6495837613   0.3430264302
H    1.2111999784  -2.0315974885  -0.7025225698
H    0.0840918173  -1.8886690300  -2.0163358074
H   -3.8235604668  -2.3948968321   1.2557512040
H   -2.3498311832   0.1223860911   1.7000408441
H   -3.7269388118  -0.1474824441   0.6533732208
H    0.4334392297  -1.0337544953   1.6170673703
H   -0.1544241326   0.6099463052   1.4701770195
H   -2.0888944676  -1.5330760831  -2.0059641697
H   -4.7649801310  -4.0409314498  -0.3616455565
H   -4.2796826097  -2.5502413846  -1.1507408945
H   -3.2810504646  -3.9960392805  -1.2945095875
H   -2.2740835701  -5.0072945481   0.9511784438
H   -3.8204163763  -4.7898159011   1.7593271537
H   -2.3690966569  -4.0504995923   2.4284879989
H   -3.7518886376   1.5074070127  -1.5757609627
H    1.1006146165   2.1659778209  -0.2179869864
H    2.7768320284  -1.4118102068   1.4276489826
H    3.3490227246   2.9652300220  -0.7836275005
H    5.0316087486  -0.6166252298   0.8705161133
H   -1.3993619876   4.3698529699   0.2575259909
*