! 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   5.4503471306   2.9386795888  -1.0124674740
O   -2.3421734981   0.1302320441   2.0384003142
N   -0.9219064191  -2.7218224002   0.2827114439
N    0.4008808050  -2.7678703868   0.0960358305
N   -0.6438484073  -4.0598749743  -1.4107336143
C   -1.8149404040  -0.4562441256   0.8613720613
C   -2.7570473235  -0.3333552828  -0.3502834298
C   -0.5848467541   0.3252089352   0.3666008130
C   -2.6130042296   1.1416639962  -0.7621505491
C   -1.1950539496   1.5612174619  -0.3143903852
C   -4.1883753640  -0.8791176587  -0.2387139547
C   -1.5301549573  -1.8964201496   1.2993292314
C    0.4528571659   0.6405672091   1.4403623809
C   -5.1198115360  -0.1297635069   0.7108550570
C   -4.8161574501  -0.9441133903  -1.6300804547
C    1.7035446467   1.2253761786   0.8480432444
C   -1.5249501400  -3.4921241825  -0.6226911482
C    1.9643778749   2.5910694236   0.8956872862
C    2.6269367528   0.4015553101   0.2061637662
C    3.1108433173   3.1279623372   0.3252373603
C    3.7778988735   0.9166897757  -0.3682732029
C    0.5149417120  -3.5783182009  -0.9247642047
C    4.0095985845   2.2823676769  -0.3026689576
H   -2.2767456977  -0.9183290975  -1.1448369896
H   -0.1007821967  -0.2807701165  -0.4046015758
H   -3.3682124625   1.7671256526  -0.2804553243
H   -2.7582018391   1.2663066206  -1.8346159918
H   -0.5824118171   1.8951010982  -1.1510283845
H   -1.2423679625   2.4021824335   0.3827859925
H   -4.1203867171  -1.9109045412   0.1273804569
H   -2.4591613334  -2.3808640349   1.6019769275
H   -0.8725656422  -1.9069362333   2.1684861777
H    0.7125777684  -0.2739211333   1.9804520712
H    0.0343909614   1.3321889473   2.1743748111
H   -2.6677015229   1.0145866485   1.8391492173
H   -5.2258616046   0.9218909763   0.4376264259
H   -6.1186776254  -0.5682496353   0.6703338552
H   -4.7904072329  -0.1766722508   1.7464255769
H   -5.7939958627  -1.4273260820  -1.5951481855
H   -4.1946667777  -1.5095963782  -2.3275223975
H   -4.9616638283   0.0527512696  -2.0518991550
H   -2.5948622171  -3.6259537722  -0.6627999746
H    1.2665764751   3.2560100486   1.3897658957
H    2.4454530758  -0.6657316627   0.1567710629
H    3.2968720369   4.1921616656   0.3756673960
H    4.4849434766   0.2595744585  -0.8561694197
H    1.4794295153  -3.8380326573  -1.3320446939
*