! 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   -4.1177577874  -0.0720962570  -0.1876880932
F   -2.6935514519  -1.2951132285  -1.2353311330
F   -2.9066821983  -1.4818101927   0.8931845737
O    1.8259315040  -1.5763609357  -0.3012431046
N    1.8798655540   0.6608121126   0.1242728623
N    3.8312556415  -0.5250072424  -0.1496728132
C    0.5221553814   0.9515661152   0.1990529204
C   -1.8305592353   0.4465864923   0.0908498010
C   -0.5054020486   0.0323040607  -0.0041666287
C    0.1825283638   2.2772670390   0.4964732413
C   -2.1655809717   1.7570627267   0.3876256277
C    2.4771635818  -0.5533943848  -0.1216575980
C   -1.1374934472   2.6687347921   0.5881768193
C   -2.8898330847  -0.5923571018  -0.1111583163
C    4.5768050005  -1.7423062353  -0.3847360209
C    4.6030647420   0.6836199918   0.0520955846
H   -0.2721742667  -0.9938841993  -0.2367087170
H    2.4748299852   1.4581308971   0.2832325830
H    0.9653673386   3.0094419330   0.6573561129
H   -3.1933923752   2.0816966750   0.4642446956
H   -1.3706039257   3.6995330314   0.8189224385
H    3.9056121023  -2.5840940674  -0.5162905806
H    5.2351753942  -1.9606553219   0.4583827635
H    5.1900788633  -1.6522455686  -1.2834428311
H    4.4641414293   1.1076774179   1.0497798092
H    4.3808968931   1.4496154141  -0.6946855756
H    5.6589548877   0.4455028935  -0.0457924042
*