! 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   1.5903734137   2.1493926368   1.3279608891
Cl   5.7242650145  -0.7494452745  -0.3659100230
O   -0.9110618895  -1.0851979225  -0.5918360985
O   -0.7438197764   0.3353118707   1.1198633762
N   -2.0576227087   1.4551187715  -1.1335034353
N   -2.8305533817   0.8998059953  -2.0685587120
N   -4.0724921502   2.0742292075  -0.6242163644
C   -0.2649211828   0.0763331488  -0.1605099385
C   -1.5248181936  -1.7414871738   0.5199728724
C   -1.0062654784  -0.9278192870   1.7022473676
C   -3.0365657304  -1.7287910961   0.3661859632
C   -0.6386276456   1.2325689855  -1.0950244724
C    1.2517906620  -0.1204240567  -0.1703829603
C   -3.7444839488  -2.6130520540   1.3849765649
C    2.1383491142   0.7584893221   0.4518819592
C    1.8026802318  -1.1988083489  -0.8561782662
C   -5.2574377932  -2.5588738288   1.2321950461
C    3.5115824393   0.5728360727   0.3968439735
C    3.1691746270  -1.4108831621  -0.9235009490
C   -2.8113694139   2.1472798186  -0.2749317838
C    4.0147436585  -0.5158227919  -0.2933336556
C   -4.0276797346   1.2994698106  -1.7268105524
H   -1.1620966954  -2.7730866071   0.5599365125
H   -1.7338000434  -0.7967132296   2.5025317337
H   -0.0972936683  -1.3630027544   2.1317392060
H   -3.2886609786  -2.0686028950  -0.6419794052
H   -3.4069278482  -0.7024454664   0.4528974941
H   -0.2996992207   1.0107927572  -2.1051136638
H   -0.1470941551   2.1513512121  -0.7804681247
H   -3.4763422603  -2.3093814449   2.4014437820
H   -3.4005244277  -3.6459553180   1.2763202863
H    1.1471203767  -1.8985703709  -1.3547648027
H   -5.6346799513  -1.5454718689   1.3838108796
H   -5.5683112835  -2.8779390697   0.2352740227
H   -5.7562910192  -3.2061803165   1.9547273990
H    4.1758165719   1.2711805680   0.8872045867
H    3.5617937273  -2.2622496434  -1.4620462256
H   -2.4049392548   2.6880848294   0.5645779989
H   -4.9035577752   1.0267251060  -2.2949515094
*