! 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  -6.5714073981  -3.0365150277   1.4373844439
F    2.1909986678  -1.9623288207   0.7960481038
F    1.8109022957  -0.1614009609   1.9417071724
F    0.3184818286  -1.6628176868   1.7691078717
O    3.5131684362   0.2016765367  -0.0655378530
O   -2.4556876988  -0.7231065072  -2.0252910643
N    3.8061859769   3.1272705269   0.4519144898
N    4.8466293034   2.4900631499   0.9967375358
N    5.3885497740   4.6075801237   0.5393637791
C    2.7397879377   1.1934554924  -0.6862992055
C    1.3415761975   0.6222708346  -0.9306738597
C    2.5590787021   2.4380153785   0.2126851601
C    3.4362492088   1.5916749224  -1.9939376091
C    0.7029895856  -0.3685709856  -0.1618784331
C    0.6147542744   1.1579971632  -1.9940167579
C   -0.5653978251  -0.8250001026  -0.5233106528
C   -0.6560597211   0.7383854442  -2.3304899397
C   -1.2421185154  -0.2786438689  -1.6000326967
C    1.2804299794  -1.0275525767   1.0746849288
C    4.1447321342   4.3871248889   0.1809303439
C    5.7735956085   3.4160242798   1.0280695994
C   -3.3688714148  -1.2577198027  -1.1599097730
C   -3.6580506322  -0.6791084270   0.0690724255
C   -4.0649739127  -2.3769134516  -1.5923337307
C   -4.6425937218  -1.2335301491   0.8715858234
C   -5.0590598142  -2.9229408233  -0.7965421572
C   -5.3371033359  -2.3507188514   0.4344878562
H    1.8867785597   3.1481713936  -0.2661843119
H    2.1201759811   2.1652191847   1.1715923626
H    2.9978271133   2.4587604865  -2.4857382997
H    4.4807138680   1.8353207190  -1.7944895305
H    3.4279256660   0.7602432799  -2.6991631741
H    1.0479765985   1.9429083287  -2.5964062932
H   -1.0345572991  -1.6193088543   0.0385993818
H    4.2546288893   0.6271320873   0.3922849916
H   -1.1789373348   1.1872726086  -3.1650309195
H    3.4633478817   5.0946076370  -0.2650789577
H    6.7601339457   3.2227846519   1.4194815135
H   -3.1331746220   0.2041103613   0.4101156446
H   -3.8383851655  -2.8178659761  -2.5545151810
H   -4.8678882460  -0.7839895248   1.8290609830
H   -5.6040907431  -3.7921646837  -1.1387113243
*