! 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  -0.2248867078  -1.1820297805   2.8517377446
Cl  -4.5077656555  -1.8389682316  -0.3004094194
O    3.3941827327  -0.7001163165  -0.1942440582
N    2.1187725427  -1.1703548909  -0.2458323801
N   -0.0730721213   3.4370440531  -1.3509551675
C    1.5651727989   0.9410604317   0.9341198805
C    1.2724460083  -0.3987543632   0.3105118504
C   -0.1443114035  -0.8056986992   0.1763380616
C    1.4141980974   2.0048511489  -0.1213978127
C   -0.9344699513  -1.1318440498   1.2745809274
C   -0.7417405933  -0.8250843374  -1.0804717214
C    2.4879424306   2.4637901582  -0.8747420309
C    0.1596530804   2.5341856947  -0.4071465812
C   -2.2749003940  -1.4534493497   1.1449014886
C   -2.0792096092  -1.1449044954  -1.2435082141
C   -2.8335601108  -1.4495003705  -0.1231416548
C    2.2602311279   3.4129554557  -1.8583573890
C    0.9654731497   3.8614167202  -2.0627071103
C    4.2850966830  -1.6286639282  -0.7854244025
H    0.8591872522   1.1289902399   1.7431766883
H    2.5643727412   0.9656206634   1.3665834159
H   -0.1506525703  -0.5732725864  -1.9503150166
H    3.4878462288   2.0916783380  -0.6929948096
H   -0.7016533150   2.2155086327   0.1709768575
H   -2.8669869927  -1.7082779103   2.0123636381
H   -2.5205980513  -1.1484849457  -2.2298702683
H    3.0705084372   3.8016172793  -2.4592176024
H    0.7589993866   4.5981628962  -2.8298263405
H    5.2731187655  -1.1778280826  -0.7237585319
H    4.0434358337  -1.8104290256  -1.8344515253
H    4.2956484679  -2.5797022524  -0.2491009382
*
