! 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  -0.6031489172  -0.3301003318   2.4651385179
Cl   1.7028901256  -4.1397494124  -0.4583062549
O   -1.8378285449   1.5151117612   0.4255542938
O   -0.6560219003   1.9683332722  -1.4269969999
N    1.7358029240   2.1588472333   0.4753443145
N    2.3012041844   2.4700974888  -0.6915293036
N    3.7611795396   1.3967362948   0.6242266534
C   -0.5570062874   1.4649100479  -0.1241004775
C   -2.7849965290   1.5341688808  -0.6386312639
C   -2.0098911131   2.2848283107  -1.7118851720
C   -3.2322814171   0.1426962133  -1.0615822277
C    0.3385999328   2.3860056761   0.7264679597
C    0.0017973672   0.0417149546  -0.1798011300
C   -3.8086784914  -0.6900281629   0.0757245805
C    0.0098543590  -0.8165892366   0.9174680153
C    0.5658939068  -0.4353062053  -1.3596064136
C   -4.1481739815  -2.1069176397  -0.3601321000
C    0.5243791360  -2.1022258311   0.8421802148
C    1.0915676543  -1.7113038128  -1.4632131716
C    2.6138517001   1.5103735758   1.2459950115
C    1.0599522304  -2.5393225601  -0.3558440553
C    3.5144555680   1.9988327756  -0.5558008077
H   -3.6445133749   2.1088495024  -0.2860985702
H   -2.2497541014   1.9571388595  -2.7247523906
H   -2.1699307458   3.3654773579  -1.6497415595
H   -2.4036620687  -0.3954052706  -1.5340179610
H   -3.9900276726   0.2711416798  -1.8413648863
H    0.1622105253   2.2146768732   1.7860177098
H    0.0907421063   3.4263022066   0.5139949912
H   -4.7049305069  -0.1997660754   0.4687031898
H   -3.0964331425  -0.7321037682   0.9021905815
H    0.5939003826   0.2036921461  -2.2297345533
H   -4.5828421086  -2.6809914587   0.4594825321
H   -4.8648752676  -2.1167590026  -1.1838664814
H   -3.2557803807  -2.6403822947  -0.6946721979
H    0.5096529689  -2.7476848730   1.7094447551
H    1.5184647664  -2.0481727842  -2.3976645033
H    2.3782521051   1.1571959114   2.2382574891
H    4.2521245852   2.0928811439  -1.3376053448
*