! 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  -0.8874433191  -0.2680553835   2.0390054800
Cl  -5.0332139307   1.4318362683  -1.0118502759
O   -0.1882728641  -1.7573982240  -0.2654969958
O    2.7234976035  -0.9426562394  -2.1194073193
N    2.1289954165  -0.4815711465   0.0340216811
C    0.7606714602  -1.9905332432  -1.2999813590
C   -1.2879454219  -1.0095245939  -0.5028997697
C    1.9710871341  -1.0653605551  -1.1697722345
C    1.1988354081  -3.4416576680  -1.2261822358
C   -2.9246874253   0.5504175473   0.4388362095
C   -1.7712272499  -0.2253999354   0.5480479425
C   -1.9886396714  -1.0285869719  -1.6995549074
C    3.1443673818   0.3743233046   0.4785208610
C   -3.5858333031   0.5040728845  -0.7898975002
C   -3.1350293406  -0.2690212255  -1.8426047731
C   -3.4520583303   1.3998620834   1.5515269458
C    4.2537414871   0.7444599030  -0.2814599852
C    3.0140517178   0.8721057439   1.7773212247
C    5.2043973383   1.5959837085   0.2666226857
C    3.9703388459   1.7176939560   2.3099271001
C    5.0761355110   2.0875817776   1.5560217823
H    0.3349290529  -1.7920102618  -2.2853495297
H    1.6341151775  -3.6782352032  -0.2547703420
H    1.9406675833  -3.6506166127  -1.9951234358
H    0.3466145360  -4.0994091681  -1.3953546245
H    1.4242731106  -0.6981443804   0.7244154371
H   -1.6687944905  -1.6475848481  -2.5263438543
H   -3.6779359236  -0.2941167719  -2.7770625470
H   -4.4381988864   1.0563861538   1.8671521944
H   -3.5595883432   2.4357480101   1.2290707412
H   -2.8068298702   1.3936860996   2.4242487065
H    4.3904453016   0.3815215884  -1.2864983449
H    2.1558669931   0.5955858885   2.3787727136
H    6.0603324708   1.8741669159  -0.3347429470
H    3.8459314476   2.0880284166   3.3190707194
H    5.8261261087   2.7489850688   1.9688549842
*