! 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   5.2551385138   3.0593136275  -1.3300176712
O   -2.2145165017   0.1806641391   2.0289800020
N   -0.8290092129  -2.8681629015   0.5076872555
N   -1.4465550574  -3.5476263806  -0.4616644515
N    0.7651731908  -3.9147126375  -0.5413646844
C   -1.7942536012  -0.5631741857   0.9018068290
C   -2.8104687455  -0.5220630273  -0.2758156002
C   -0.5542313716   0.1460664596   0.3381378612
C   -2.2998515818   0.5827975459  -1.2306854410
C   -1.1551705995   1.2736930327  -0.4935017368
C   -4.2921746552  -0.4053111058   0.1324581549
C   -1.5223513490  -1.9894015101   1.4214368965
C    0.4825397640   0.5765641003   1.3754025819
C   -4.7625951202   1.0100771012   0.4714898642
C   -5.1779848362  -0.9761562395  -0.9717462655
C    1.6871291248   1.1952740791   0.7253086188
C    0.4830861787  -3.0965227595   0.4429454928
C    2.6449826997   0.4039957082   0.0952116162
C    1.8586215214   2.5759852418   0.7019945507
C    3.7427244219   0.9654043451  -0.5384187285
C    2.9495544014   3.1590009314   0.0732013769
C   -0.4531035427  -4.1547315642  -1.0587357620
C    3.8846359755   2.3444804975  -0.5434265294
H   -2.7200847980  -1.4802347501  -0.7921707441
H   -0.0698825471  -0.5436274675  -0.3647162626
H   -3.0785137016   1.2814364800  -1.5361639736
H   -1.9186819176   0.1284977175  -2.1472940055
H   -0.4319886465   1.7285794087  -1.1712139439
H   -1.5287901595   2.0674653710   0.1598142470
H   -4.4530976470  -1.0393066080   1.0157481402
H   -2.4610924575  -2.4710165707   1.7012210335
H   -0.9149605865  -1.9316298971   2.3252103248
H    0.7973019628  -0.2844657255   1.9732510977
H    0.0407042419   1.2910569620   2.0712178765
H   -3.0809710387  -0.1319514337   2.3113564351
H   -4.8304175444   1.6317558275  -0.4230818365
H   -5.7621398087   0.9786587654   0.9083493557
H   -4.1129264643   1.5255320302   1.1766243472
H   -6.2352756435  -0.8927835340  -0.7131209345
H   -4.9642242208  -2.0307561559  -1.1534252019
H   -5.0286439956  -0.4409761490  -1.9127558521
H    1.1866057524  -2.6729284357   1.1428402500
H    2.5423147577  -0.6751275958   0.0967624600
H    1.1289329444   3.2151078017   1.1839658523
H    4.4774478338   0.3334492407  -1.0183687013
H    3.0646911892   4.2343338912   0.0682805342
H   -0.6163940666  -4.8074418296  -1.9017027559
*