! 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    0.4707353683   2.3269958611  -0.9492311147
F    2.1693295192   3.0572909776  -2.1156919982
F   -3.7008845548   1.3542736758  -1.6859455815
F   -1.3211905030   2.1240343176   2.2517996413
F   -2.8285210748   3.0501886872   0.2190786129
O    0.4546245193  -0.8793994049  -1.3939411837
N    0.9162517300  -1.8780173268   0.5824953048
N    4.1808102868   0.8243525293   0.4435016188
N    3.6342565829   1.7151951081  -0.3747913398
C   -1.4777127817  -2.3703746573   0.4486030129
C   -0.1499123121  -2.8002999855   0.5575929262
C    2.2920311227  -0.0758615991  -0.1715175368
C   -1.8340972022  -0.9369797542   0.3970721249
C    2.4954696740   1.1864767097  -0.7642755347
C    1.1479088013  -0.9688147242  -0.3948202586
C    3.4182458542  -0.2624153927   0.6039881106
C   -2.4847870372  -3.3325921627   0.4082577527
C    0.1396873799  -4.1553836150   0.6642021211
C   -1.3940635042  -0.0625841510   1.3873165189
C   -2.6239767253  -0.4598544460  -0.6438421000
C   -2.1943688796  -4.6837056663   0.5134882639
C    1.5664382028   1.9301968756  -1.6610990665
C   -0.8777644600  -5.0958845125   0.6558374030
C    5.4744287800   1.0706905949   1.0407215156
C   -2.9512183051   0.8775756428  -0.6898417444
C   -1.7317502345   1.2707974733   1.3112111267
C   -2.5088132156   1.7586536819   0.2778982046
H    1.5573316192  -1.9383299490   1.3587201196
H    3.7326415818  -1.0853142596   1.2269670584
H   -3.5159529270  -3.0130365672   0.3230025146
H    1.1725192647  -4.4710285983   0.7429648376
H   -0.7983329163  -0.4086946972   2.2211898495
H   -2.9646793753  -1.1165656613  -1.4335822762
H    1.2244794680   1.3494278582  -2.5152760286
H   -2.9963879168  -5.4095996597   0.4949014877
H   -0.6388633425  -6.1474037403   0.7445762162
H    5.4019003996   1.0462333533   2.1259549803
H    6.1948987540   0.3246003698   0.7115471463
H    5.8134206296   2.0536534319   0.7298241439
*