! 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  -5.8476169173   1.7858827554  -2.0420728229
O    3.1970632623   1.5476162991   0.2122956073
O    1.2546260495  -1.4927123515   2.2201850565
N    2.3155466762  -0.5270038762   0.4638758445
N    1.4631136796  -2.7098970619   0.3165206383
N    1.7911441319  -4.6850510311  -0.5947951220
C    2.6155336207   0.7297951882   1.2054401657
C    2.7317724031  -0.4161707830  -0.9586895749
C    2.7943650534   1.1059639169  -1.0627804990
C    1.3662462816   1.4026210701   1.7941112774
C    3.6640378686   0.5093282333   2.2834685506
C    4.1162486730  -1.0126551686  -1.1883900448
C    1.7272631276  -0.9376138382  -1.9760961028
C    0.1434833098   1.4852221066   0.8897412711
C    1.6786539510  -1.5214979798   1.0814544959
C   -1.0873833157   2.0001944380   1.6387184550
C   -2.3047072727   1.9718675045   0.7598374311
C    0.2296857048  -3.1569488697  -0.0877202217
C    2.3623385458  -3.6730866393  -0.0031820425
C   -3.0343101538   0.7950547619   0.6034690643
C   -2.6986204505   3.0897747259   0.0303921691
C    0.4610344997  -4.3670925126  -0.6628556684
C   -4.1229765444   0.7269214505  -0.2523459275
C   -3.7858256689   3.0435606095  -0.8311766837
C   -4.4883440233   1.8574955407  -0.9660070534
H    3.5307247264   1.4322374521  -1.7983313522
H    1.8214370129   1.5206963696  -1.3505850365
H    1.6756704036   2.4115459268   2.0824279240
H    1.0954154311   0.8981622211   2.7209894594
H    3.2928320266  -0.1298138151   3.0814144628
H    3.9393925986   1.4661696876   2.7292814732
H    4.5639829114   0.0562131944   1.8670642971
H    4.4342912182  -0.8077977237  -2.2111771749
H    4.1275470101  -2.0927484353  -1.0590872327
H    4.8595670273  -0.5841185204  -0.5158041018
H    1.7710752613  -2.0144466561  -2.1227402064
H    0.7048687496  -0.6552156229  -1.7228559290
H    1.9588752654  -0.4807673333  -2.9398793002
H    0.3331948973   2.1401082059   0.0361708581
H   -0.0987050458   0.5021581549   0.4753273192
H   -0.9036816741   3.0159233730   1.9966901782
H   -1.2559755215   1.3791968959   2.5224988809
H   -0.6699592903  -2.5801798743   0.0465696353
H    3.4041463398  -3.6001599790   0.2630917674
H   -2.7537553577  -0.0907254547   1.1612439703
H   -2.1516748472   4.0191905462   0.1321023926
H   -0.2610980740  -5.0242963238  -1.1196766353
H   -4.6763467235  -0.1963718416  -0.3569726010
H   -4.0769942813   3.9241669553  -1.3872749151
*