! 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  -6.0877208112   1.9466103040  -2.0098168203
O    2.9494046651   1.5399387650  -0.2554216973
O    1.5467982598  -1.3044088509   2.3971149477
N    2.3171576838  -0.5352437125   0.4069320426
N    1.7567300579  -2.7970184550   0.7007617637
N    0.7659149403  -4.6591669920   0.0736396427
C    2.5493876885   0.8479067137   0.9087548122
C    2.6146285788  -0.6285018836  -1.0448182631
C    2.4957600612   0.8516155116  -1.3972974167
C    1.3001092911   1.4973193358   1.5162103598
C    3.7088133702   0.8985907529   1.8914252308
C    4.0377990552  -1.1147026833  -1.3018084821
C    1.6072271415  -1.4188292023  -1.8673453654
C    0.0279381841   1.4476659835   0.6811182205
C    1.8714070064  -1.4770282601   1.2390139797
C   -1.1711614933   1.9864670525   1.4643881731
C   -2.4197377492   1.9911116227   0.6308718683
C    2.7588539104  -3.7076984193   0.4759909134
C    0.5808800593  -3.4275038344   0.4557583658
C   -2.8044280810   3.1255918218  -0.0782377295
C   -3.1949773810   0.8411433323   0.5019362105
C    2.1223420250  -4.8463221744   0.0884743277
C   -3.9285827672   3.1228285554  -0.8913301203
C   -4.3216444881   0.8165191604  -0.3061584631
C   -4.6786334701   1.9630716894  -0.9981561777
H    3.1249704958   1.1214301521  -2.2453947143
H    1.4619248302   1.1117201936  -1.6486437904
H    1.5637056627   2.5428569162   1.7011083311
H    1.1102032828   1.0582020797   2.4949304349
H    3.9319217091   1.9358039956   2.1429985518
H    4.6061320538   0.4517221534   1.4637404179
H    3.4728167876   0.3799867436   2.8175569020
H    4.2556425867  -1.0558586898  -2.3686178695
H    4.1770883557  -2.1512446160  -1.0034736567
H    4.7766155275  -0.5076463268  -0.7785114031
H    0.5795491987  -1.2057259242  -1.5713423234
H    1.7110710046  -1.1157344011  -2.9104701513
H    1.7731507148  -2.4937042874  -1.8382530322
H    0.1420930694   2.0383877881  -0.2305412117
H   -0.1944701617   0.4237541457   0.3644654090
H   -0.9522734612   2.9995405738   1.8105997087
H   -1.3211157273   1.3746592429   2.3575805318
H    3.7976159497  -3.4860765430   0.6493987433
H   -0.3719242351  -2.9322618092   0.5629985763
H   -2.2209002912   4.0345620648   0.0040449928
H   -2.9222652607  -0.0562949443   1.0445225200
H    2.5711078555  -5.7915493139  -0.1708977103
H   -4.2126301853   4.0160360659  -1.4308725427
H   -4.9120472667  -0.0856182051  -0.3905776198
*