! 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  -0.6525334375  -0.3581626191  -3.0997380563
Cl  -3.9064003929  -0.0365650165   1.1668598473
O    1.2956699642   0.8173015456  -1.3897570265
O    1.6962496327  -1.5426253756   2.6671799274
O    2.9507851089   0.2798745074   2.4079500990
C    3.2830925248  -0.1951975193  -0.3976969249
C    2.5198012044   1.0801534218  -0.7057145861
C    2.6055307231  -1.1904519014   0.5317786559
C    0.1450605882   0.6483082906  -0.7291841929
C    2.4469551754  -0.7162908350   1.9478907403
C   -0.9142241027   0.0876036496  -1.4532849071
C   -0.0937985128   1.0017645163   0.5961906959
C   -2.1565479762  -0.1203712933  -0.8841523461
C   -1.3328977762   0.7913293871   1.1814436884
C   -2.3569705346   0.2311245879   0.4411916449
H    4.2507992941   0.1000535636   0.0138276460
H    3.4975833983  -0.7057705034  -1.3388174460
H    3.1071315659   1.6817730330  -1.3994617473
H    2.3654486126   1.6936823099   0.1821134459
H    3.2062943394  -2.1052588615   0.5703747393
H    1.6351445282  -1.5144003083   0.1477243162
H    0.6757812543   1.4593566907   1.2005343169
H   -2.9530898384  -0.5573951332  -1.4704123573
H   -1.4845528162   1.0733662580   2.2139988569
H    1.6342693417  -1.2233747185   3.5804851437
*