! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Br  -3.4514992910  -0.8510047519  -0.1323817160
Cl   1.5096085366   1.2317627363   2.2475162128
Cl   4.9668929276   3.3858806335  -1.1881159351
O   -0.3968233277  -0.5278715207  -1.4908328622
N   -0.3920342217  -2.4006026080   0.7387328149
N   -0.8546371348  -3.2781735865  -0.1532199338
N   -1.8878851893  -3.5497112593   1.8216628106
C    0.1439541174  -0.1569858997  -0.2414965347
C   -1.0069383316   0.5943337742   0.4895850027
C   -2.1633725983   0.5879968448  -0.5010876181
C    0.6409429798  -1.4468682273   0.4276685417
C   -1.4463556025   0.3593668481  -1.8116290110
C    1.3624265609   0.7465250221  -0.4439712586
C    2.0267720284   1.3959976263   0.5969228754
C    1.8794834666   0.9320403568  -1.7234029637
C    3.1331057691   2.2035095314   0.3832535806
C    2.9784089027   1.7374025484  -1.9708957209
C   -1.0210763933  -2.5728646975   1.9035266117
C    3.5968323017   2.3714522764  -0.9090481536
C   -1.7470883707  -3.9343659517   0.5397590579
H   -0.7382531898   1.6354096463   0.6674879577
H   -1.2595402778   0.1695102092   1.4588366462
H   -2.7331486469   1.5146547925  -0.4868886422
H    1.1611337030  -1.2186945582   1.3548496389
H    1.3626521025  -1.9317071468  -0.2291585402
H   -2.0494049355  -0.0750633659  -2.6067746493
H   -1.0619486947   1.3258315854  -2.1663002389
H    1.4122603840   0.4368716290  -2.5621477511
H    3.6207062179   2.6921123334   1.2150745211
H    3.3414458608   1.8613401232  -2.9813374672
H   -0.7963321989  -1.9896312720   2.7829247711
H   -2.3175369105  -4.7387231843   0.1028216243
*
