! 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   4.3824466101  -1.4543556906   0.1775971776
O   -1.9124318437   0.2863002244  -1.3068202130
N   -0.6209079381   2.4377030142   0.3168639290
N   -0.5685792005   2.8091954707  -0.9671697230
N    1.1935987299   3.6223793818   0.1497791902
C   -2.1174516000  -2.2888506534  -0.0038393320
C   -3.0875906077  -3.4258936219   0.1151515407
C   -2.9126294763  -2.7165186851  -1.1936736109
C   -2.3167646601  -0.9536143852   0.6919470284
C   -1.4481927847   0.1355248009   0.0126091430
C   -3.7780119804  -0.5340262674   0.8162056965
C   -1.6010532076   1.4770243079   0.7665531929
C    0.0223587462  -0.2711972551   0.0427219063
C    0.6902543510  -0.4147822260   1.2580176764
C    0.7352844255  -0.5012601458  -1.1273387940
C    2.0257878309  -0.7775259662   1.3103916298
C    2.0744012514  -0.8657527019  -1.0947651764
C    0.4422053059   2.9126805957   0.9598015662
C    2.7102157813  -1.0006314525   0.1262019005
C    0.5321523819   3.5173159563  -1.0146191445
H   -1.0795541286  -2.6034780301  -0.0223673890
H   -4.0157364377  -3.2768169487   0.6517924279
H   -2.6795981699  -4.4232152326   0.2199609919
H   -2.3922137237  -3.2274898067  -1.9938030931
H   -3.7208941422  -2.0819395027  -1.5330293008
H   -1.9274762848  -1.0668399353   1.7101097953
H   -4.2413097474  -0.3297462377  -0.1484119244
H   -3.8884787120   0.3588496150   1.4310361742
H   -4.3617175459  -1.3103340746   1.3100267108
H   -1.4700574995   1.3546783383   1.8405128576
H   -2.5939960197   1.8928492983   0.6017187782
H   -1.5324683511   1.1000759014  -1.6715286570
H    0.1746792293  -0.2484128110   2.1959840702
H    0.2524377346  -0.4120497062  -2.0899865099
H    2.5224774891  -0.8823831676   2.2650733911
H    2.6089528229  -1.0429539185  -2.0180348484
H    0.6182447240   2.7385643079   2.0090836490
H    0.8646642834   3.9829636912  -1.9287334254
*