! 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    0.5407672712   1.6541075810  -1.0604377873
F    0.4943883241   1.5953451964   1.1162249405
F   -2.6369483025   1.8847098247  -2.5210327106
F   -3.0417968528   2.0833253995   2.1191714495
F   -3.2422891024   3.2632157432  -0.2913799192
O    2.6784818567  -2.5189977821   0.0992931218
N    0.7136964799  -1.3849088210   0.0213403585
N    4.6462996556   1.0325038401   0.0453750110
N    3.6494242211   1.9042802404   0.0550049306
C   -1.5829514918  -2.0629448857   0.0828550013
C   -0.2240531618  -2.4239682146   0.0856626464
C    2.8329003763  -0.1971687759   0.0447358094
C   -2.0080800490  -0.6430813836  -0.0155240359
C    2.5435856103   1.1912951695   0.0536321055
C    2.0690417221  -1.4621518841   0.0584603351
C    4.2150382701  -0.2294047788   0.0394104873
C   -2.5593291917  -3.0455896021   0.1758262052
C    0.1123207978  -3.7773000667   0.1657753292
C   -2.3212706268   0.0690281720   1.1380339562
C   -2.1103084239  -0.0332328965  -1.2624010733
C   -2.2217016309  -4.3869032326   0.2622126588
C    1.2719358771   1.9523929804   0.0537157725
C   -0.8828453090  -4.7394360451   0.2522828061
C    6.0205815246   1.4838995386   0.0470931313
C   -2.5270913165   1.2785958152  -1.3392316899
C   -2.7348510396   1.3795644645   1.0296360370
C   -2.8426358382   1.9970370122  -0.2019723658
H    0.3050883535  -0.4672183831  -0.0330507154
H    4.8968571866  -1.0643596807   0.0337529576
H   -3.6003641980  -2.7479378189   0.1763975700
H    1.1416106035  -4.0915066448   0.1640760309
H   -2.2410450636  -0.3888718316   2.1152388557
H   -1.8694229585  -0.5720868075  -2.1695527679
H    1.4408103463   3.0287524456   0.0851536717
H   -2.9940120431  -5.1408917452   0.3331649073
H   -0.5947764290  -5.7808944395   0.3138083277
H    6.0248423444   2.5690201569   0.0484474261
H    6.5361205561   1.1231383052   0.9343541494
H    6.5374579945   1.1257464113  -0.8403863530
*