! 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  -1.1626106291  -0.1809942311   2.5635919400
F    5.5755505603   0.0104182465  -1.7544950564
F    5.2907486310  -1.1804241536   0.0072038586
F    3.8827529516  -1.3015368098  -1.6172215076
F   -5.6047799382   1.7932812305   0.5258546842
F   -4.5355716536   2.2526757976  -1.2800193309
F   -6.0125957589   0.6907568607  -1.2779714399
O    2.4658188678  -1.8263804485   1.0102507602
N    0.8741072333  -1.1500611380  -0.4471371537
N   -2.7853489786  -1.7335743481  -0.6926956897
C   -0.9104014045  -2.5749746744   0.5396310829
C    0.1786660609  -2.4156918274  -0.5216882329
C   -1.9915884343  -1.5553100395   0.3591711530
C    2.5664685248   0.4099709887   0.2210525180
C    1.9743105670  -0.9693608017   0.2951828377
C    3.8391919180   0.6524582036  -0.3017742786
C   -2.1710124060  -0.4455468988   1.1855395687
C   -3.9786343968   0.2565364864  -0.1879264237
C   -3.1701936005   0.4712453963   0.9155243507
C    1.8479651189   1.4633614570   0.7713317717
C    4.3719292358   1.9341132945  -0.2586145100
C   -3.7440532284  -0.8681830803  -0.9658760148
C    4.6458244233  -0.4552498125  -0.9133995698
C    2.3886634304   2.7394700915   0.8250681092
C    3.6521100925   2.9739764119   0.3108166713
C   -5.0382570448   1.2455262968  -0.5534598824
H   -1.3502600043  -3.5671011645   0.4214917552
H   -0.4690160103  -2.5350847744   1.5336266821
H    0.8966893446  -3.2288966146  -0.4209937859
H   -0.2607434737  -2.4955507958  -1.5154565332
H    0.5723108376  -0.4027498592  -1.0525381046
H   -3.3052396393   1.3307323480   1.5588386831
H    0.8625963571   1.2843648055   1.1810282251
H    5.3516752627   2.1399628872  -0.6669308158
H   -4.3471315857  -1.0876728492  -1.8386814842
H    1.8197918849   3.5458258635   1.2682098474
H    4.0820112051   3.9657481449   0.3452840690
*