! 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   0.4601711203  -1.1309842004   2.2209299977
Cl   4.5564521657  -2.5234406181  -0.8857750453
O   -1.2255114509   0.6540629998  -1.5703786869
O   -1.7226117261  -0.4255626950   0.3357948739
N   -1.7522537232   2.3637899366   0.6478695472
N   -2.1741264762   3.2334351120  -0.2729735419
N   -3.6946203656   3.0188871815   1.3570635998
C   -0.7400895336   0.3365929325  -0.2951266975
C   -0.5229352741   1.6330785531   0.4972760215
C    0.5789484285  -0.4217912368  -0.4233829354
C   -2.5017752485   0.0593897172  -1.7514058889
C   -2.5265274957  -1.0059327630  -0.6771144743
C    1.1834181467  -1.0806102792   0.6469094204
C    1.2510720304  -0.4422854763  -1.6419278421
C    2.4026434165  -1.7281898414   0.5137684961
C    2.4665597975  -1.0849175485  -1.8045764425
C   -2.6729333636   2.2377189479   1.6072683132
C    3.0347575800  -1.7230384084  -0.7169244918
C   -3.3388722848   3.6014897680   0.1944300747
H    0.1972003186   2.2651230062  -0.0204686932
H   -0.1223253053   1.4232096839   1.4875073641
H   -2.5745421303  -0.3462645204  -2.7607172870
H   -3.2929421172   0.8023756431  -1.6158540968
H   -3.5189807004  -1.1969401366  -0.2719985629
H   -2.1008076547  -1.9522984410  -1.0279755028
H    0.8195457326   0.0578656757  -2.4968426733
H    2.8481315462  -2.2298627029   1.3614947309
H    2.9580303855  -1.0803018908  -2.7674794073
H   -2.5502400766   1.5864870048   2.4583394005
H   -3.9538226431   4.3252898136  -0.3178153062
*