! 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   0.7126090078  -0.8747538429  -2.1894195740
Cl   5.5589314958  -0.7597959547   0.0220853562
O   -1.1825904575  -0.4373213637   0.0238328958
O   -0.6300391497   0.9134805277   1.7299269263
N   -1.9720322309   2.1696538653  -0.4906742869
N   -2.5056881120   2.9457557500   0.4555127664
N   -4.0966985910   2.1885456283  -0.9275456451
C   -0.3247879991   0.5858638587   0.4023926488
C   -1.7009942837  -1.0628600417   1.1909202400
C   -1.6686524574   0.0737767289   2.1997687514
C   -3.0861801039  -1.6016413218   0.9117426826
C   -0.5797736504   1.8106319135  -0.4896064680
C    1.1449749058   0.1845707530   0.3002374077
C   -3.1443011368  -2.7092155303  -0.1360584220
C    1.6859404825  -0.4399228983  -0.8230708005
C    2.0206491924   0.4984944352   1.3354048571
C   -2.4904769832  -4.0104181056   0.3026311407
C    3.0381982568  -0.7357250919  -0.9158012229
C    3.3736437411   0.2118880260   1.2712325806
C   -2.9318136947   1.7172041817  -1.3006873937
C    3.8719231968  -0.4031659089   0.1369572924
C   -3.7775252943   2.9334068323   0.1504312306
H   -1.0264008905  -1.8678179438   1.5104383090
H   -2.6160495763   0.6224339447   2.2309508400
H   -1.4341081779  -0.2669072127   3.2088090086
H   -3.7266713627  -0.7690477372   0.6054251672
H   -3.4952609406  -1.9713901686   1.8578644226
H   -0.2761210601   1.6159768840  -1.5172064509
H    0.0032313255   2.6577138458  -0.1300113164
H   -2.6899027305  -2.3602336387  -1.0667786472
H   -4.1949028925  -2.9004929120  -0.3685869236
H    1.6454322435   0.9869180573   2.2230356858
H   -2.9520192054  -4.3987071626   1.2127968143
H   -2.5912125028  -4.7775630732  -0.4666772580
H   -1.4235430727  -3.8947785867   0.4990227002
H    3.4305137183  -1.2199123109  -1.7992230011
H    4.0226351063   0.4729671486   2.0955111240
H   -2.7358754395   1.0652170998  -2.1371978706
H   -4.5048498191   3.4860895326   0.7248320517
*