! 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  -1.6290417334   0.3928476913  -2.8585355433
Cl  -1.4688084169   4.9716929669  -0.1072332766
F    3.2329247424  -0.6815378047  -0.9640041846
F    1.8953198352   1.0084454214  -0.8636189585
F    3.6996886777  -0.4878084416   1.7441605675
F    2.3357309330   1.2163603430   1.8501650393
O    1.4055907387  -0.8367805913   0.3035987226
N   -1.3219191068  -3.1391017080   1.0197485506
N   -0.3208278678  -3.8471704364   1.5472770339
N   -1.8040005499  -5.2051823930   0.5633287820
C   -0.9374963077  -1.0400221515  -0.2224975099
C   -1.3498513668  -1.6956723365   1.0995738611
C    0.4846499641  -1.3956554201  -0.6422122058
C   -1.1156552653   0.4579033501  -0.1872735623
C   -1.4058389319   1.1934356833  -1.3355713215
C   -0.9271239491   1.1836949004   0.9858209915
C    2.3715660651  -0.0328374319  -0.1351760839
C   -1.5195948123   2.5743580889  -1.3276898086
C   -1.0342371730   2.5631632981   1.0299575846
C   -2.1979458663  -3.9604993791   0.4364250518
C   -1.3305397212   3.2485599503  -0.1341173759
C    3.1718043027   0.5350809268   1.0358574036
C   -0.6536470287  -5.0783126943   1.2521857141
H   -1.5884463948  -1.4533441718  -0.9980545452
H   -0.6950417205  -1.4256514620   1.9248669067
H   -2.3601283102  -1.3831607804   1.3641805263
H    0.6354331542  -2.4760021008  -0.6536554862
H    0.6701681654  -1.0374803783  -1.6556760056
H   -0.6935039309   0.6728676119   1.9089369690
H   -1.7496152214   3.1113540906  -2.2374088462
H   -0.8816434227   3.0887470327   1.9621447278
H   -3.0943509115  -3.6143331441  -0.0544541959
H    3.9717992469   1.1964470632   0.6985201466
H   -0.0431572710  -5.9179792126   1.5460561075
*