! 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   2.3459912893  -0.5280480845  -1.9425019224
Cl   0.7764141634  -5.4042845893  -0.4804096145
O   -1.0523203522   0.8713356729   0.6801702932
O    0.1282939783   1.2517416970  -1.1758545020
N    1.1551554109   2.5787381364   1.0875248927
N    0.4820461350   3.0796726292   2.1259838036
N    1.1256184092   4.7202931691   0.7446793718
C    0.1621009722   0.5924687098   0.0495591608
C   -1.9883829326   1.3704652404  -0.2765265348
C   -1.2233536487   1.2488877742  -1.5899582470
C   -3.2851144475   0.5885878652  -0.2553820230
C    1.3040154032   1.1615526798   0.8974539687
C    0.3392348513  -0.9179903135  -0.1176852766
C   -4.0470988031   0.6324472137   1.0655610814
C    1.2762163180  -1.4907485505  -0.9765179611
C   -0.4409479167  -1.7870343257   0.6396453452
C   -4.5015809857   2.0257391452   1.4764276972
C    1.4138860015  -2.8658616508  -1.0978077152
C   -0.3209038191  -3.1627191347   0.5443642959
C    1.5256230845   3.5669001613   0.2687750579
C    0.6077846295  -3.6909917552  -0.3340371943
C    0.4921923953   4.3633974450   1.8806888521
H   -2.1734321644   2.4252234178  -0.0461222153
H   -1.4715490553   0.3217632926  -2.1224178345
H   -1.3878311788   2.0884505726  -2.2637607798
H   -3.0786795209  -0.4514459928  -0.5266278189
H   -3.9203826308   0.9917297584  -1.0516868569
H    2.2663387692   0.9669136682   0.4260973017
H    1.3135842331   0.6818131499   1.8747258389
H   -3.4392082650   0.1941062183   1.8614663029
H   -4.9228178060  -0.0140432509   0.9695775275
H   -1.1687340883  -1.3830635290   1.3286542371
H   -3.6641213835   2.6837747883   1.7132703874
H   -5.0827066638   2.5040966690   0.6851715174
H   -5.1334855601   1.9826057360   2.3645094297
H    2.1421850033  -3.2825638877  -1.7795569148
H   -0.9475422269  -3.8049735716   1.1472504311
H    2.0859743669   3.4030608411  -0.6379113920
H    0.0316822372   5.0734260915   2.5500668633
*