! 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   4.7128851712  -1.2859793053   0.2976515192
O   -1.5220788158  -0.0109734641  -1.6468383972
N   -0.8142704768   2.1608060212   0.2674748008
N   -0.5642507323   2.5734201418  -0.9791528339
N    0.5840601350   3.8095595548   0.4911643971
C   -3.5202224942  -1.2117648838   0.1791400775
C   -4.3584218363  -1.2045022922  -1.0580088617
C   -4.4610725717  -2.3455168923  -0.0918173197
C   -2.0281760551  -1.4694406532   0.1478188453
C   -1.2120246008  -0.2216537873  -0.2866271410
C   -1.6003253276  -2.0595003791   1.4886581227
C   -1.6555168944   1.0128246970   0.5229291814
C    0.2838991121  -0.4748663067  -0.1237349536
C    0.9472974057  -0.2439398933   1.0804401036
C    1.0248048625  -0.9777630899  -1.1890051149
C    2.3036217093  -0.4895421356   1.2193927905
C    2.3827944972  -1.2356910566  -1.0674970108
C   -0.1165083255   2.8986085388   1.1268356079
C    3.0144151686  -0.9827403831   0.1377120005
C    0.2760816456   3.5605461138  -0.7925322638
H   -3.8429320981  -0.5389600194   0.9689446055
H   -3.8714843270  -1.3891608345  -2.0059476884
H   -5.1809796956  -0.5021242621  -1.1116180497
H   -5.3520824850  -2.4324633444   0.5167127748
H   -4.0314228417  -3.2958701883  -0.3875201677
H   -1.8294860301  -2.2239341167  -0.6232619465
H   -1.6836004987  -1.3404664134   2.3068685192
H   -0.5779851316  -2.4336709162   1.4760332706
H   -2.2490440908  -2.9001820427   1.7362632209
H   -1.6385966517   0.8340273389   1.5967603034
H   -2.6808171595   1.2664370548   0.2554236490
H   -1.1234391152   0.8318247750  -1.9137860258
H    0.4146218316   0.1193177415   1.9493497661
H    0.5484401295  -1.1754015523  -2.1390188809
H    2.7942879491  -0.2956056425   2.1632550977
H    2.9377532143  -1.6254717550  -1.9099553670
H   -0.1559001163   2.7515695785   2.1944047682
H    0.6787173442   4.1244436858  -1.6188776020
*