%nprocshared=64
%mem=60GB
%oldchk=Napht_Me-TS1_DZ.chk
%chk=f_quinoline_ts1-geom.chk
# opt=(readfc,ts,modredundant,maxstep=6,noeigentest) freq wb97xd/genecp
scrf=(solvent=toluene,pcm) nosymm guess=tcheck
pop=(regular,orbitals=20,chelpg) optcyc=300 scfcyc=300

Napht_Me-TS1

0 1
 C                 -4.05775600   -0.02822500    0.08266400
 C                 -2.68129800   -0.01548700    0.05117000
 C                 -2.07458500    1.27109600    0.00698100
 C                 -2.81720200    2.47540700   -0.00853100
 C                 -4.22988000    2.39258200    0.02229100
 C                 -4.82692000    1.16043200    0.06801300
 H                 -4.58125500   -0.97936100    0.11781300
 C                 -2.08853900    3.68606400   -0.05469900
 H                 -4.81949700    3.30274400    0.00938700
 H                 -5.90898900    1.08911300    0.09276200
 C                 -0.71712600    3.66399500   -0.08147400
 C                 -0.05530700    2.42162000   -0.05892600
 H                 -2.62472100    4.62960800   -0.06807800
 H                 -0.13805300    4.57771500   -0.11692700
 H                  1.02796600    2.36157900   -0.07362900
 N                 -0.71590300    1.28957500   -0.01743700
 B                 -1.77346200   -1.34981100    0.03453700
 H                 -0.45981500   -0.11025600    0.05881600
 H                 -0.43381600   -1.01923800    0.13510800
 F                 -1.80140949   -2.04721092   -1.24782500
 F                 -1.91918169   -2.17651275    1.22907875

X 17 F
X 19 F
X 18 F
X 16 F