! 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  -0.5966610569   0.8744375495  -1.9791149938
Cl  -5.3473728937  -0.7752969293  -0.1228164735
O    0.8078249775  -2.3620579978   0.0875983028
N    1.3982037017  -1.1867909320   0.4424556068
N    4.8475165580   1.0736494984   1.1497701980
C    1.0903940231   1.1157322099   1.0102836919
C    0.5752426064  -0.2317693151   0.5735853543
C   -0.8888118638  -0.3795800065   0.3941492295
C    2.5215714322   1.3696046441   0.6435800279
C   -1.5293614184   0.1144716284  -0.7351913039
C   -1.6634010023  -1.0140298638   1.3597929495
C    2.8610970081   2.0579591371  -0.5133428733
C    3.5646610766   0.9028379376   1.4365665022
C   -2.8990710283   0.0031218784  -0.9098827027
C   -3.0340560147  -1.1389696109   1.2148463915
C   -3.6378675832  -0.6266468428   0.0772122641
C    4.1986889165   2.2463770397  -0.8234220354
C    5.1540860361   1.7309059127   0.0371350920
C    1.7759810998  -3.3906460280   0.0225221525
H    0.4530279063   1.8937828663   0.5867640944
H    0.9525359999   1.1877997012   2.0944830663
H   -1.1876971856  -1.4125489819   2.2462668665
H    2.0886022786   2.4495101391  -1.1641347400
H    3.3452578779   0.3669168389   2.3547722787
H   -3.3749552030   0.3929969801  -1.7988591180
H   -3.6192998851  -1.6338237476   1.9772820308
H    4.4960966622   2.7830727645  -1.7140765404
H    6.2095506705   1.8571216712  -0.1770068475
H    2.5423975603  -3.1850068551  -0.7285173957
H    1.2377958024  -4.2933864049  -0.2618385566
H    2.2581141092  -3.5586751739   0.9887013598
*