! 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    4.7387018284   1.8433633053  -0.7121826059
F   -2.1165053884  -2.1388821361  -1.2754055510
F   -2.4650882550  -0.4210919355  -2.5695465800
O   -1.2831078678   2.1460684870   0.8517624911
N   -0.5172723418   0.2525791670  -0.1247357073
N   -4.9734114988   0.2738579179   0.8744698417
N   -4.7984713629  -0.5520989779  -0.1458043677
C    4.1567295933  -0.7586972020   0.6642297461
C    3.2380585281  -1.9814438421   0.8337576612
C    1.8080011270  -1.4533540903   0.9998712499
C    3.1939041698   0.2302252886   0.0412338489
C    1.8635840862  -0.1583484149   0.2143450472
C    4.6235382961  -0.2341362315   2.0259000808
C    5.3646355922  -1.1004026903  -0.2039901899
C    0.7728072871  -2.4957968068   0.5971769557
C    0.8305441282   0.6455633110  -0.2599574278
C    3.4651637734   1.4336728849  -0.5735799712
C    1.1411214450   1.8402099756  -0.9076075316
C    2.4558439466   2.2441120233  -1.0584105773
C   -1.4958068995   1.0429653857   0.3745068369
C   -2.8655954220   0.4971040118   0.3369391252
C   -3.5315075048  -0.4398899619  -0.4869828797
C   -3.8553015402   0.9323185464   1.1940007587
C   -3.0670494549  -1.2261169591  -1.6549752185
C   -6.2655416930   0.3937141690   1.5129587486
H    3.5459982282  -2.6212159833   1.6632879194
H    3.2788383598  -2.5909033586  -0.0756872593
H    1.6348196681  -1.1928591100   2.0513343143
H    5.1837388192   0.6968068058   1.9239468002
H    3.7855751909  -0.0422971452   2.6991310057
H    5.2784794023  -0.9611698738   2.5113687981
H    5.0687120103  -1.3502490593  -1.2244044788
H    6.0887915500  -0.2876794000  -0.2515752706
H    5.8820496051  -1.9687364578   0.2098683115
H    0.7516777750  -2.6514025118  -0.4831927086
H   -0.2316118578  -2.2526914585   0.9422163839
H    1.0229389296  -3.4551371838   1.0538754779
H    0.3527659045   2.4600469865  -1.3116548237
H    2.6918598329   3.1758806620  -1.5556874786
H   -0.7425052783  -0.6953940869  -0.3750985076
H   -3.8226404897   1.6487510939   1.9990748737
H   -3.8840775406  -1.7668554584  -2.1325587130
H   -6.9673113854  -0.2482991679   0.9904462968
H   -6.2050790753   0.0842790087   2.5542032797
H   -6.6170550306   1.4219201236   1.4634045369
*