! 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   4.1733555867  -0.3964728954   0.6342930228
O   -1.4427429393   0.3328468058  -0.8205614749
O   -4.5726736705  -1.1637614926  -0.2225029135
O   -3.6530636075   0.6844210623   0.6418858490
C    0.5315009015   1.1710865359   0.0993494108
C   -0.1494653006   0.1028149595  -0.4981828147
C    1.8666167592   0.9958266527   0.4344016398
C    0.5027643848  -1.0940157242  -0.7629470948
C   -0.1725006949   2.4649252225   0.3702037650
C    2.5076512417  -0.2095011687   0.1856910122
C    1.8365780486  -1.2574536697  -0.4137443354
C   -2.3631002229  -0.7237467459  -0.8255453659
C   -3.5880808489  -0.2928965340  -0.0532899609
H    2.4049467843   1.8082884471   0.9057985147
H   -0.0065733028  -1.9126216046  -1.2552803218
H   -1.0926411460   2.3110538597   0.9354885192
H    0.4636960900   3.1423989876   0.9378572308
H   -0.4500931732   2.9727264489  -0.5557709923
H    2.3348874422  -2.1947805681  -0.6199591039
H   -2.6372212576  -1.0005830290  -1.8478245004
H   -1.9757713122  -1.6264825028  -0.3395134233
H   -5.3398587175  -0.9129003240   0.3146717664
*