! 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  -4.7446138664   1.7999972767  -0.2354121474
F   -1.8415240615  -1.7787267831   2.0698900572
F   -0.7799730510  -2.6784683616   0.4338889218
F    0.1865044561  -1.2071289278   1.6640788050
O    0.9603306859   1.6433268913   0.2934742378
N    2.7363564511  -1.1415112862  -1.1999658629
N    0.5242452668  -0.6654288737  -1.1919572802
N    4.7824968178  -1.9352011658  -1.4172646500
C    1.6701902612  -0.3214198801  -0.8076218597
C    2.0715071878   0.8544758805   0.0465919873
C    1.2520713022   2.9064075608   0.8591448507
C   -0.6786230849  -0.0379258940  -0.9125948083
C    1.6759189660   2.8531500419   2.3166517015
C   -1.4733526100  -0.4477240610   0.1632789517
C   -1.1856468135   0.9140638678  -1.7941904480
C   -2.7217232987   0.1248649558   0.3726156728
C    2.6311517279  -2.2992480060  -1.9426411458
C    0.6407179301   2.2099499104   3.2253586981
C    4.0652273118  -0.9794780776  -0.9162969208
C   -0.9809912104  -1.5228190966   1.0802313564
C   -2.4273303832   1.4817381859  -1.5913412674
C   -3.1869699031   1.0894097855  -0.5000604433
C    3.8977786651  -2.7645903404  -2.0633694245
H    2.8535346223   1.4159320462  -0.4857012369
H    2.5355736525   0.4662355468   0.9641881800
H    0.3308995193   3.4856486440   0.7634501186
H    2.0200539855   3.4187804697   0.2633947983
H    2.6388257655   2.3435793234   2.4197078871
H    1.8555695208   3.8851912578   2.6309561727
H   -0.5917809536   1.2147625927  -2.6469086016
H   -3.3364009896  -0.1774569527   1.2086751200
H    1.6867457915  -2.6695500710  -2.3000249898
H   -0.3119404197   2.7419489883   3.1792708489
H    0.4482972569   1.1722162464   2.9540251605
H    0.9708682025   2.2204114049   4.2649205829
H    4.4465365221  -0.1506176700  -0.3415640550
H   -2.7967663778   2.2274836478  -2.2821711636
H    4.2264689505  -3.6538758050  -2.5776502712
*