! 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  -0.5046018047  -1.2422424123  -2.3345463030
Cl  -5.3192634373  -0.6771245569  -0.0546365866
O    0.8672628842  -2.0135962545   0.4251271652
N    1.4487260673  -0.7890748938   0.3064844623
N    4.2176934014   2.4994422630   1.8711343749
C    1.1042528387   1.5586192114  -0.0032370627
C    0.6093796342   0.1468173565   0.1426941660
C   -0.8563180431  -0.0628332392   0.0726480002
C    2.5574982053   1.7446210763   0.3100030301
C   -1.4642495953  -0.6946940818  -1.0076489912
C   -1.6684558521   0.3886992778   1.1070457197
C    3.5606442146   1.3590899420  -0.5713638243
C    2.9530826947   2.3090933507   1.5162926441
C   -2.8350776182  -0.8861243941  -1.0607896409
C   -3.0407678955   0.2055205587   1.0843270041
C   -3.6089033010  -0.4358007697  -0.0034412695
C    4.8840967346   1.5520884867  -0.2141993362
C    5.1617351060   2.1232238690   1.0190357013
C    1.8532938695  -3.0240053459   0.3658730795
H    0.8864886854   1.8844351640  -1.0263667139
H    0.4994792048   2.2074257826   0.6369501341
H   -1.2197896030   0.8842409610   1.9586742480
H    3.3115540576   0.9170907614  -1.5283533891
H    2.2007170346   2.6305571549   2.2306854599
H   -3.2891642817  -1.3784227527  -1.9095807303
H   -3.6509439922   0.5558586907   1.9049649516
H    5.6902592387   1.2656493178  -0.8757783766
H    6.1882950802   2.2858859146   1.3280346295
H    2.3467500167  -3.0531094704  -0.6088029989
H    1.3318568011  -3.9668981839   0.5224950697
H    2.6093389425  -2.9040685293   1.1457609362
*