! 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   4.1120427221   1.5695665107   1.5671292403
Cl   5.0874306250  -0.7318246308   0.1592235353
Cl   3.9380613149   1.4638620802  -1.3071825475
Cl  -3.7322714515   1.0832122357   1.8691608782
Cl  -3.8976053765   1.3713212445  -0.9899095111
Cl  -5.3025607411  -0.7652173904   0.3378494355
O    2.0484742986  -2.9732840990   0.5703485343
O   -1.4553511449  -3.2549993733  -0.2695365314
N    1.4058040532   0.8314158902   0.4662841434
N   -1.3699691573   0.0543508855   0.3141156235
N    2.2650210757  -1.1176045714  -0.7344941267
N   -2.7189178189  -1.5044223199  -0.9899195007
C   -0.5979975653   0.2203168804  -0.9065348248
C    0.5748916213   1.1670441053  -0.6800442226
C   -0.5457405196  -0.3258025138   1.4542504686
C    0.5719726146   0.6801787016   1.6484600723
C    2.4339550387  -0.1582627211   0.3226926022
C   -2.5830950044  -0.7145481373   0.2057310238
C    3.8273950586   0.5122096489   0.1834207072
C   -3.8206250712   0.2035712633   0.3423909580
C    2.0437393833  -2.4275736620  -0.5177283302
C   -2.0884854146  -2.6836144928  -1.1387383896
H   -1.2183603181   0.6578197415  -1.6893575528
H   -0.2259178109  -0.7346822032  -1.2965370531
H   -1.1612254469  -0.3320126891   2.3550384298
H   -0.1295619610  -1.3375041931   1.3459847107
H    0.1899241601   2.1771344143  -0.5182907814
H    1.1659539308   1.2216244885  -1.5935868750
H    1.1868623502   0.3905271261   2.5005961135
H    0.1421103054   1.6557359390   1.8907801788
H    2.5032003177  -0.7302624100   1.2500138856
H   -2.6497565053  -1.3993498281   1.0558810310
H    2.2053450116  -0.7986799702  -1.6902436651
H   -3.0904438476  -1.0814332391  -1.8286394036
H    1.8630154457  -2.9715320755  -1.4532616641
H   -2.2231461236  -3.0971443348  -2.1463922495
*