! 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  -4.4683653790   0.2381569712   1.2023943704
O    0.8701473747  -0.7290891118  -0.9780317721
O    4.0183250066   0.2745088026   1.2492396029
O    2.8075124077   1.9114059961   0.3463533604
C    3.1593564714  -1.3644768606  -0.9753827844
C    1.7973508086  -1.5993998925  -0.3516620271
C    3.5673990038   0.1090002755  -1.0560596359
C   -0.3498738241  -0.5607985086  -0.4340987213
C   -1.0614220007   0.5681011467  -0.8692432016
C   -0.9091206487  -1.4275558439   0.4970670484
C   -2.3290192877   0.7907802392  -0.3548981842
C   -0.4469427547   1.5172284359  -1.8515873041
C   -2.1796344838  -1.1878438520   1.0062582792
C    3.4055282331   0.8699135138   0.2287258117
C   -2.8806865291  -0.0797707481   0.5755601649
H    3.1779336355  -1.7710361044  -1.9883099855
H    3.8873017661  -1.9385675764  -0.4000145969
H    1.8245970363  -1.4073334618   0.7271870306
H    1.5078065348  -2.6468217359  -0.4882847262
H    2.9969264256   0.6254228701  -1.8252423112
H    4.6198920886   0.1644820075  -1.3489177021
H   -0.3760833338  -2.3047041660   0.8387680161
H   -2.8855277772   1.6609796448  -0.6791536891
H   -0.1776698860   1.0204113154  -2.7850570766
H   -1.1361536197   2.3248395976  -2.0932653412
H    0.4654969335   1.9646365918  -1.4526311764
H   -2.6042048295  -1.8697472485   1.7302991910
H    3.8911677152   0.7924744480   2.0587508598
*