! 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  -5.0324711067   1.6238280506  -0.3260183812
F   -1.1407287053  -3.0208429484  -0.2746029132
F   -0.5999571366  -2.0086788422   1.5451083204
F   -2.6230368146  -2.6634409687   1.2361349146
O    2.2759701638   1.6407276559   0.7190647200
N    2.6064739260  -0.8943541352  -0.5266479393
N    0.3744867928  -0.6637165175  -0.8765529628
N    4.0814632213  -2.0432293163  -1.6950126331
C    1.3760331110  -0.3316842228  -0.1851074750
C    1.3812813227   0.6042103669   0.9949186082
C    2.4239660750   2.5440208353   1.7976420267
C   -0.8846454561  -0.1067711048  -0.6890897336
C    3.4339007920   3.6059415449   1.4216850744
C   -1.8887341086  -0.8039656299  -0.0076043978
C   -1.1921581796   1.1257783617  -1.2599872415
C   -3.1638032801  -0.2675082135   0.1052685820
C    3.7944701476  -0.8407831731   0.1768616126
C    3.0230169198   4.4479225664   0.2231156282
C    2.8520650422  -1.6394263277  -1.6493122810
C   -1.5678896282  -2.1251355207   0.6205842277
C   -2.4623420468   1.6619955028  -1.1520182307
C   -3.4413524798   0.9606690405  -0.4682553256
C    4.6796354526  -1.5563440561  -0.5571988585
H    1.6649662885   0.0398801633   1.8957640774
H    0.3662559405   0.9775953489   1.1699735437
H    2.7575138846   2.0086838569   2.6970405436
H    1.4571845901   3.0071607350   2.0403929102
H    3.5663542203   4.2474606253   2.2965930766
H    4.4037863158   3.1347034959   1.2389185649
H   -0.4279454277   1.6648982695  -1.8040474679
H   -3.9422715671  -0.7961090429   0.6372664134
H    3.9104959237  -0.3241859792   1.1124498469
H    2.9236992386   3.8485113777  -0.6820917256
H    2.0677382927   4.9476408561   0.3973470150
H    3.7638317089   5.2223617365   0.0203618531
H    2.0867858531  -1.8337974726  -2.3828104794
H   -2.6802719402   2.6221457330  -1.5996888563
H    5.7170395494  -1.7473137642  -0.3323582960
*