! 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    2.0135577212   2.1466486785   1.9071877495
F    3.7500707406   2.7020722533   0.6971459457
O    2.3322140529  -1.0145523084   2.3729040605
N    0.5501540107  -2.0280645980   1.4616112803
N    2.0426721921   0.2626829697  -1.8880839539
N    2.6622503619   1.1913624306  -1.1683748229
C   -2.3168001172   1.0325754225  -0.0915293468
C   -1.5716995100   0.2692639833   1.0326092186
C   -3.4214537927  -0.0365978839  -0.2232442187
C   -2.6962424180   0.1534607309   2.0898857844
C   -3.9652528775  -0.0644298574   1.2278420213
C   -1.4562986851  -1.1002975376   0.4152265706
C   -2.5940988846  -1.2827693571  -0.3778055690
C   -1.5077540265   1.3666819781  -1.3424643225
C   -0.5531662698  -2.1339843882   0.5806116886
C   -2.8302469773  -2.4748606210  -1.0313470885
C   -0.5509331152   2.5195892881  -1.0570630477
C   -2.4109609829   1.7130165468  -2.5209512110
C   -0.7762511334  -3.3371238346  -0.0946339582
C   -1.8974497696  -3.5030049160  -0.8922751313
C    1.5795564060  -1.1544446810   1.4161240661
C    1.8121482123  -0.3988516866   0.1779845404
C    2.5427792748   0.8040313670   0.0808808093
C    1.5113192717  -0.7056786240  -1.1346195965
C    3.0666484678   1.6410612891   1.1959223635
C    1.9703543053   0.3767594821  -3.3271597047
H   -2.7427871986   1.9650867548   0.2999031340
H   -0.6497883110   0.7132619433   1.4057264356
H   -4.1893475268   0.1222619717  -0.9786275507
H   -2.7630195782   1.0768214987   2.6677423655
H   -2.5145199586  -0.6567386580   2.7967674923
H   -4.4793473966  -0.9990936093   1.4545375247
H   -4.6849345128   0.7431629289   1.3727004647
H   -0.9127187666   0.4908276042  -1.6224009345
H   -3.7175962293  -2.6176546826  -1.6361785819
H    0.0838406822   2.3274089876  -0.1921594504
H    0.1068419968   2.7132989661  -1.9065711375
H   -1.1023912820   3.4423714285  -0.8576019298
H   -1.8221805495   2.0478502492  -3.3779376123
H   -3.0017345804   0.8582123718  -2.8536737640
H   -3.1060761324   2.5180552695  -2.2680379726
H   -0.0614404155  -4.1438292024   0.0115359053
H   -2.0495655553  -4.4430515685  -1.4070468150
H    0.5128019786  -2.5933323243   2.2998602077
H    0.9910907465  -1.5396996794  -1.5768617528
H    3.7142346512   1.1041362098   1.8861815646
H    2.4849212473   1.2845766015  -3.6250934255
H    2.4491896742  -0.4771675353  -3.8021919711
H    0.9338580555   0.4314318033  -3.6551381942
*