! 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
F    3.6918965107  -1.8631154126  -1.2775850010
F    2.6945645560  -0.6638657570  -2.7973715580
F   -1.8833890659   2.9429680907  -1.0276475330
F   -3.5646391473   1.3197689840   3.0095440562
F   -3.0193306755   3.3921305171   1.3742339984
O    0.5779164377  -0.7884440109   1.5197987291
N    0.5521738662  -1.2512430313  -0.6906593368
N    3.4315200138   2.0662199029   0.4707253645
N    3.9793753741   1.4132267690  -0.5423826751
C   -1.7746662644  -1.8295170587  -0.1921003687
C   -0.5004432826  -2.1913867777  -0.6416544223
C    2.1384764264   0.3309775693   0.1678573096
C   -2.0946078840  -0.4460638090   0.2165728558
C    3.2135229429   0.3615956368  -0.7478450045
C    1.0338469098  -0.6172750146   0.4021723079
C    2.3369268692   1.4561258927   0.9389240890
C   -2.7651040279  -2.8088419670  -0.1507440444
C   -0.2476245748  -3.4900737971  -1.0638113614
C   -2.6898669853  -0.2127737870   1.4526158709
C   -1.8229249198   0.6246920752  -0.6317791839
C   -2.5124824471  -4.1042320557  -0.5745648372
C    3.6257526831  -0.6060288135  -1.7922472786
C   -1.2522713624  -4.4443821992  -1.0431223899
C    3.9980611357   3.3121971955   0.9369857367
C   -2.1351314270   1.9044948670  -0.2282475968
C   -2.9976656909   1.0772538625   1.8264146614
C   -2.7219722078   2.1494045113   0.9992019846
H    0.9483269207  -1.0508041220  -1.5955184920
H    1.7664046109   1.8538635500   1.7628618894
H   -3.7574742977  -2.5436067116   0.1920633537
H    0.7482739994  -3.7513411101  -1.3993984142
H   -2.8957592238  -1.0260081297   2.1361914113
H   -1.3849658471   0.4742122899  -1.6091594880
H    4.5871003100  -0.3461853089  -2.2350579075
H   -3.3027709836  -4.8426192533  -0.5463133059
H   -1.0452120656  -5.4518442340  -1.3787869386
H    3.3550979794   4.1484596744   0.6696131374
H    4.1219652190   3.2851197523   2.0167557084
H    4.9690566349   3.4451091735   0.4709566170
*