! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   1.6820389691  -0.5644282768   2.3213844021
Cl   3.9876950197  -3.4942594021  -1.4836145792
O   -1.3912138355   0.3788525695  -0.8507036912
O   -1.0310665465  -0.0640410045   1.3228195192
N   -0.8126800700   2.7194085042   0.5369349397
N   -1.2005583525   2.9792129225   1.7873940389
N   -2.4430468199   4.1342769418   0.3252861449
C   -0.4073458526   0.3288480270   0.1335346325
C   -2.5435532807  -0.3288353876  -0.4021276639
C   -2.4241570531  -0.1873002907   1.1052360656
C    0.1955006491   1.7394515003   0.2408554817
C    0.6959954282  -0.6606311110  -0.2303827810
C   -3.7931479628   0.2812080034  -0.9964540167
C   -3.8512776686   0.1931246366  -2.5132288591
C    1.6622488861  -1.0981438022   0.6745401044
C    0.7933006912  -1.1235595056  -1.5389298948
C    2.6723967459  -1.9714425933   0.2994260862
C    1.7919181485  -1.9944804987  -1.9407870137
C   -1.5668572680   3.4077670184  -0.3244076355
C    2.7260960298  -2.4132015756  -1.0105957809
C   -2.1758888453   3.8334606156   1.6124447029
H   -2.4659115109  -1.3843415522  -0.6961631388
H   -2.9565588503   0.6964689296   1.4756360192
H   -2.7962067655  -1.0611586961   1.6411325636
H    0.6641119095   2.0016732711  -0.7076099485
H    0.9614770623   1.7835414070   1.0118233449
H   -3.8739015169   1.3237491828  -0.6740410298
H   -4.6503139151  -0.2426774784  -0.5642777326
H   -4.7817274038   0.6198020855  -2.8889949541
H   -3.0307297834   0.7378579577  -2.9814929977
H   -3.8034860565  -0.8423407058  -2.8555178349
H    0.0700166991  -0.7968588197  -2.2727728514
H    3.4066939255  -2.2971586319   1.0230944743
H    1.8367498901  -2.3342580605  -2.9661494185
H   -1.4347014892   3.3559156343  -1.3935532939
H   -2.7128738556   4.2622802182   2.4443578020
*