! 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   0.6712184210   0.1099187209   2.5278818336
Cl   5.2679642176  -0.8971455171   0.0162022839
O   -1.1451349960   1.2019480980   0.3815796206
N   -2.8643373751  -1.0046938509  -0.2189795253
N   -4.9775302329  -0.4019319138  -0.0649609535
C   -0.6715286187   0.0984664776  -0.3414727964
C   -1.4647040526  -1.1286013799   0.1066854028
C    0.8177306204  -0.1318156187  -0.1885917711
C    1.4950802333  -0.1548577398   1.0289143148
C    1.5708474221  -0.3503131415  -1.3384651433
C   -3.4359872119  -1.2818080680  -1.4302907443
C   -3.8305869299  -0.4685614144   0.5582972556
C   -0.6945952622   2.4506974290  -0.0847822084
C    2.8604106622  -0.3886769249   1.1003206969
C    2.9332307143  -0.5915869743  -1.3002149741
C    3.5670038399  -0.6069243455  -0.0700452879
C   -4.7422295835  -0.9067440985  -1.3124233780
C   -1.4540535808   2.9884248921  -1.2566522960
C   -2.5869319115   2.5070179561  -1.7507396050
H   -0.8599338057   0.2344286406  -1.4161087417
H   -1.0677260397  -2.0153074633  -0.3861821590
H   -1.3694021925  -1.2841396163   1.1807071813
H    1.0733279196  -0.3242774453  -2.3002792311
H   -2.8796679484  -1.7200735959  -2.2426447298
H   -3.6416745957  -0.1535732955   1.5731534066
H   -0.7858373404   3.1501565696   0.7519259033
H    0.3754471623   2.4278798123  -0.3307645756
H    3.3623633917  -0.4011319033   2.0578913902
H    3.4863929901  -0.7539507297  -2.2147671796
H   -5.5220452961  -0.9817003006  -2.0547063246
H   -1.0072673148   3.8713539894  -1.7049496840
H   -3.0641430299   2.9803017417  -2.5989518236
H   -3.0867343262   1.6377336913  -1.3422309547
*