! 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  -4.3595184751   1.2149705325  -2.6649389251
O    1.5610896153   1.4149588282  -0.6535625759
O    2.0888974280  -1.2517896789   2.4574750898
N    1.7068864907  -0.6131269140   0.3110970796
N    1.8923641530  -2.8791877794   0.8925472134
N    1.2933013103  -4.9970040701   0.9192430695
C    1.7853704098   0.8479142752   0.6148834831
C    1.1224370230  -0.8285654642  -1.0423469866
C    0.6265109567   0.5954018610  -1.3118243031
C    0.6736095725   1.2612003997   1.5912065242
C    3.1641615913   1.2791547789   1.0727275842
C    2.1754142105  -1.2022969241  -2.0807987337
C   -0.0542661476  -1.7927095805  -1.0794623027
C    0.4545776947   2.7728511697   1.6774829553
C    1.9001704313  -1.5062424085   1.2835720492
C   -1.0111587266   3.1247913672   1.9617367105
C   -1.9076456428   2.6862156519   0.8375058059
C    2.8217378494  -3.5510197049   0.1371311217
C    1.0074233144  -3.8014984069   1.3500350551
C   -1.8644431839   3.3387890655  -0.3936412484
C   -2.7386237614   1.5765169279   0.9605930708
C    2.4296625730  -4.8529573412   0.1668624493
C   -2.6159131573   2.8989067693  -1.4715087006
C   -3.4961199260   1.1158877615  -0.1080349636
C   -3.4237459701   1.7821874372  -1.3190117180
H    0.6255107122   0.8367507822  -2.3742017656
H   -0.3912291617   0.7466644235  -0.9285459975
H    0.8951765909   0.8682760385   2.5815768338
H   -0.2515175293   0.7694753678   1.2799798220
H    3.2056135180   2.3668662210   1.1407789967
H    3.9305256250   0.9558714367   0.3682311098
H    3.4029301395   0.8809631407   2.0554333403
H    3.0195204700  -0.5126246016  -2.0662270967
H    1.7289399932  -1.1654947336  -3.0750700076
H    2.5542691576  -2.2117264860  -1.9401944447
H    0.2458502827  -2.8388614125  -1.0865623138
H   -0.7420782064  -1.6272858099  -0.2491346988
H   -0.6091606092  -1.6215059627  -2.0035977684
H    1.0804562478   3.2007677177   2.4632485865
H    0.7501058613   3.2652261496   0.7491601888
H   -1.0938275694   4.2045711635   2.1049559884
H   -1.3312309299   2.6576812818   2.8960924015
H    3.6796967584  -3.0659674767  -0.2948368812
H    0.1690393287  -3.5333286608   1.9736284616
H   -1.2286157284   4.2068785666  -0.5206620923
H   -2.7950609833   1.0495979546   1.9054301870
H    2.9131550832  -5.6938209434  -0.3036016153
H   -2.5677694089   3.4191680832  -2.4185242535
H   -4.1299850814   0.2473959124   0.0086589948
*