! 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   0.7067703624  -1.3967501033  -2.2095366115
Cl   4.9795398505   1.0224609694  -0.1427473111
O   -1.2573322793  -1.5487709795  -0.0050852054
O   -1.3655829845   0.1552764271   1.4677029223
N   -1.2673468167   2.0039449373  -0.8448445029
N   -0.3191646204   2.4542984196  -1.6730373426
N   -0.8188378452   4.0091270469  -0.1342913634
C   -0.9271137586  -0.2004913050   0.1837391551
C   -1.7900350787  -2.0783782026   1.2086079067
C   -2.2958203545  -0.8243902711   1.8946181038
C   -2.8531627805  -3.1134481206   0.9159712933
C   -1.6910928394   0.6276115724  -0.8678039586
C    0.5707183842   0.0554871361   0.1028507952
C   -3.4301504465  -3.7003030814   2.2003224431
C    1.3641638629  -0.4286717964  -0.9341726729
C    1.1876357198   0.8682815713   1.0496546311
C   -4.4737630659  -4.7728792913   1.9322933644
C    2.7190907074  -0.1452725941  -1.0135271640
C    2.5351046718   1.1791625269   0.9877775789
C   -1.5402752948   2.9346090077   0.0726039376
C    3.2924923231   0.6600892371  -0.0460137772
C   -0.0899122052   3.6544006821  -1.2102184576
H   -0.9817038435  -2.5317683920   1.7967595773
H   -3.3155081066  -0.5736095945   1.5755030884
H   -2.2732480742  -0.8735628288   2.9818742961
H   -2.4231712330  -3.9171864265   0.3118668326
H   -3.6517038963  -2.6580987754   0.3214701207
H   -2.7610912984   0.5754746332  -0.6616040030
H   -1.5299698425   0.2424872019  -1.8713932843
H   -3.8796527934  -2.9062166131   2.8040977932
H   -2.6194975793  -4.1194717669   2.8032678086
H    0.6094238095   1.2805488232   1.8632872152
H   -4.0567236537  -5.5960226875   1.3492744310
H   -4.8588466302  -5.1905768183   2.8630977912
H   -5.3222848416  -4.3711399369   1.3758031665
H    3.3130377534  -0.5439863142  -1.8238222127
H    2.9798026173   1.8154364340   1.7397800141
H   -2.2757988706   2.8008443627   0.8493141260
H    0.6314565032   4.3081591413  -1.6747873279
*