! 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  -4.9476889381   1.6148933026  -0.4610884519
F   -1.8659470640  -1.4381245822   2.3251345890
F   -0.8114901302  -2.5886630717   0.8506032521
F    0.1150587228  -0.8586421764   1.7310721199
O    2.4662778289   1.0295898801   0.6332408709
N    2.6028384924  -1.0708020399  -1.2385969135
N    0.3410941895  -0.8927850290  -1.1818359260
N    3.8410955478  -2.8380759787  -1.6885610239
C    1.4505759049  -0.3215208477  -0.9961599468
C    1.6647896642   1.0885948406  -0.5127089640
C    2.5594771222   2.2600492399   1.3304744917
C   -0.8760619069  -0.2551444312  -0.9753230894
C    1.3901940981   2.5046425673   2.2697282607
C   -1.6196744343  -0.4792320748   0.1895462315
C   -1.4190800875   0.5511739591  -1.9723060778
C   -2.8712569321   0.1000757641   0.3457159009
C    3.9080218139  -0.6259599856  -1.3216772835
C    1.5726588013   3.8028430891   3.0416638381
C    2.6349565946  -2.4194834013  -1.4721178582
C   -1.0488553981  -1.3420809376   1.2730776946
C   -2.6662465079   1.1294991388  -1.8204098530
C   -3.3856565794   0.8991791501  -0.6599810748
C    4.6452641077  -1.7266402521  -1.6046121576
H    0.6896555107   1.5451200874  -0.3192283795
H    2.1321481093   1.6815982104  -1.3121022272
H    2.6652447014   3.0951520689   0.6250881907
H    3.4878103222   2.2101063147   1.9046548760
H    0.4501129871   2.5437128820   1.7119193914
H    1.3096990986   1.6659815857   2.9654008337
H   -0.8598156897   0.7177739215  -2.8834250989
H   -3.4491870274  -0.0625650194   1.2445418647
H    4.1962028199   0.4012784237  -1.1878925183
H    2.4894811467   3.7900509589   3.6344114034
H    1.6245422946   4.6647269637   2.3736148262
H    0.7428599008   3.9721684074   3.7280341077
H    1.7407532977  -3.0207779890  -1.4570262627
H   -3.0673967953   1.7553290830  -2.6058742278
H    5.7124342972  -1.7832955057  -1.7502430887
*