! 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   0.0293029237  -0.2894652959   2.4654269967
Cl   4.3810993552   0.9950162507  -0.3451769758
N   -1.3008505473  -1.8195594906  -0.6785933806
N   -0.2543213602  -2.1656390576  -1.4321584846
N   -0.4303949676  -3.5334865160   0.3376353486
C   -1.6311226042   0.5521893728  -0.0472368645
C   -2.3463374733   1.8437284539  -0.4574697242
C   -2.0682053920  -0.6212788515  -0.9357322693
C   -0.1291538995   0.6901097328  -0.0770978303
C   -3.8490204450   1.8218673622  -0.1987477538
C    0.6956537852   0.3163387313   0.9808327289
C    0.5048899214   1.1612751692  -1.2254274560
C   -4.5074188112   3.1480060985  -0.5469283201
C    2.0791558022   0.4060032818   0.9141808142
C    1.8800616653   1.2657657985  -1.3263587338
C   -1.3828163336  -2.6332295714   0.3734239292
C    2.6581258379   0.8818227393  -0.2468842896
C    0.2285304121  -3.1942822327  -0.7853233975
H   -1.9425357240   0.3217773649   0.9736119655
H   -1.9054488561   2.6726705224   0.1024664006
H   -2.1640108065   2.0568851968  -1.5152010124
H   -1.9491082164  -0.3789549980  -1.9907538226
H   -3.1189959597  -0.8516232112  -0.7694135612
H   -4.3259730537   1.0267608660  -0.7767775602
H   -4.0288907130   1.5863999572   0.8540680013
H   -0.0926767870   1.4532112121  -2.0795962251
H   -4.0721533425   3.9703118275   0.0237043449
H   -5.5764954342   3.1281756960  -0.3332672392
H   -4.3885110159   3.3828897745  -1.6061748098
H    2.6890796836   0.1083737907   1.7556970636
H    2.3344207574   1.6369355208  -2.2341182896
H   -2.1529665234  -2.5467515758   1.1231141478
H    1.0920818862  -3.7304262376  -1.1460286131
*