! 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  -2.8650027895  -0.5433845123   0.0557211670
O   -0.1192755654   2.9135152824   0.3744968442
O   -2.0945444985   2.2355201520  -0.4104062880
N    0.9550434598   0.5739662093  -0.0150295511
N    0.8749783349  -1.7768641330   0.0037587889
N   -1.0965977164  -2.9245077167   0.0497104365
C    2.9958001774  -0.6827052780  -0.0282085659
C    3.7864938060   0.3819580371   0.6885299690
C    3.7726965860   0.3574370359  -0.7945143113
C    1.5225316674  -0.6207035054  -0.0137545725
C   -0.3745470226   0.6233114021  -0.0077007543
C   -0.4551757339  -1.7573216482   0.0204493159
C   -1.1456476955  -0.5174784405   0.0068051211
C   -0.9743918188   1.9991787698  -0.0407155864
H    3.3976281699  -1.6874354618  -0.0165741693
H    4.6817158663   0.0611213306   1.2048986326
H    3.2235615130   1.1583450339   1.1901064542
H    3.2022279143   1.1176185943  -1.3121546851
H    4.6579898779   0.0180139314  -1.3161330594
H   -2.0989242552  -2.9913015932   0.0569477472
H   -0.5641999046  -3.7779522792   0.0520686851
H   -0.5347215973   3.7886765929   0.3292536316
*