%nprocshared=24
%mem=41GB
%chk=tsdiskcn4b
#p opt=(loose,modredundant) b3lyp 6-31g(d) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) scrf=(solvent=generic,read,pcm)

Loose preopt

0 1
 C                 -3.65451585    4.05484248    1.85401587
 C                 -2.93051306    4.29018651    0.61646286
 C                 -3.63535652    4.58023966   -0.55731668
 C                 -5.08669740    4.62922013   -0.54129194
 C                 -5.77852324    4.39890756    0.64931980
 C                 -5.04743822    4.11228199    1.87321285
 C                 -2.95629692    3.02310654    2.60066906
 C                 -1.80032297    2.61463045    1.83800141
 C                 -1.78322272    3.40831789    0.58613051
 C                 -1.37213476    2.84646624   -0.60520238
 C                 -3.22246723    3.97150021   -1.79903322
 C                 -5.57006706    4.04995730   -1.78461802
 C                 -6.72422830    3.26258638   -1.78406706
 C                 -7.44636068    3.03010081   -0.54603343
 C                 -6.97967766    3.58513420    0.64774492
 C                 -6.99934171    2.80375512    1.87477471
 C                 -5.80629450    3.12893373    2.63220318
 C                 -5.13866059    2.13524703    3.34988439
 C                 -3.68895561    2.08373669    3.33992771
 C                 -1.42558811    1.28709779    1.82556691
 C                 -2.19446537    0.31600093    2.54182784
 C                 -3.29800151    0.69532388    3.31095259
 C                 -4.49892032   -0.12859392    3.32864803
 C                 -5.63693585    0.76517310    3.33459392
 C                 -6.79066417    0.45325950    2.60706726
 C                 -7.47553501    1.49021926    1.85805995
 C                 -7.95262551    0.91003745    0.61288921
 C                 -7.93863190    1.66286892   -0.56256159
 C                 -4.41550053    3.64007576   -2.56316299
 C                 -5.97280758   -0.69432186   -2.61025130
 C                 -5.25264823    0.25363635   -3.34009339
 C                 -3.80088697    0.21382140   -3.34164022
 C                 -3.11953771   -0.76205394   -2.60445797
 C                 -3.87439254   -1.74157995   -1.84255212
 C                 -6.00105504   -1.96369814   -0.63148755
 C                 -7.14800298   -1.07462059   -0.61037492
 C                 -7.13052912   -0.28956426   -1.83619596
 C                 -7.52070388    1.05109011   -1.81260979
 C                 -6.77202230    2.03981330   -2.56871049
 C                 -5.65995241    1.64832562   -3.31813176
 C                 -3.31392211    1.57136819   -3.32924902
 C                 -2.17455986    1.87768542   -2.58047513
 C                 -1.45676421    0.85526973   -1.86325196
 C                 -1.92034682   -0.43735979   -1.87150473
 C                 -3.14969901   -2.04431269   -0.63602528
 C                 -3.84899567   -2.27391411    0.54919987
 C                 -5.30169654   -2.22780548    0.54924645
 C                 -7.55157767   -0.48594805    0.58911284
 C                 -6.82866769   -0.76608121    1.81936427
 C                 -5.72581634   -1.62356832    1.79860065
 C                 -4.52809151   -1.29771284    2.56031126
 C                 -3.37127221   -1.73860310    1.80532472
 C                 -2.23659805   -0.90156381    1.73532767
 C                 -1.44834362   -0.72355581    0.56996563
 C                 -0.73433161    0.62487776    0.64841514
 C                 -0.70933563    1.47645640   -0.69430912
 C                 -4.45899733    2.46667390   -3.31563413
 C                 -2.12600294    3.10193676   -1.80219827
 C                 -5.27418361   -1.72816492   -1.86331382
 C                 -1.82320141   -1.35126773   -0.66693530
 C                 -0.63889485   -2.76790715   -1.20837054
 C                  3.90298299    2.05736328    3.29225671
 C                  5.35437692    2.02618140    3.29783603
 C                  6.07557145    2.93892382    2.52587426
 C                  5.37293120    3.92199878    1.71642419
 C                  3.97887194    3.94052054    1.70020636
 C                  3.22496089    2.99018529    2.49897260
 C                  3.42597200    0.69618602    3.34459772
 C                  4.57954597   -0.19140074    3.38443349
 C                  5.77398465    0.63476766    3.35489719
 C                  6.89519646    0.21407389    2.63677552
 C                  7.24172398    2.50219904    1.78359719
 C                  6.11494290    4.10132968    0.47828911
 C                  5.43183990    4.30693197   -0.72172502
 C                  3.98058448    4.34169363   -0.73442257
 C                  3.26514116    4.15312535    0.45382338
 C                  2.06824691    3.34087647    0.47019725
 C                  2.04169485    2.60782581    1.75864447
 C                  1.57010766    1.31283808    1.82789017
 C                  2.29239020    0.34010778    2.60564602
 C                  4.55327191   -1.40583097    2.69939626
 C                  3.37071236   -1.78637925    1.94211036
 C                  2.26808884   -0.92426251    1.88904421
 C                  1.53097448   -0.73227113    0.66737482
 C                  0.85125789    0.62543355    0.67628806
 C                  0.87463633    1.42285601   -0.70727662
 C                  1.62422312    2.74421307   -0.69054097
 C                  2.38065379    2.89644215   -1.90319113
 C                  3.52785849    3.69554227   -1.94297437
 C                  7.26648845    3.22108396    0.51771472
 C                  5.81732843    1.15697143   -3.33977634
 C                  6.95150676    1.51920627   -2.61069402
 C                  7.64408911    0.52967419   -1.80426040
 C                  7.17455491   -0.78444534   -1.75656453
 C                  5.99436498   -1.16034484   -2.51001556
 C                  3.87508291   -0.16610947   -3.29490927
 C                  3.46903060    1.21762194   -3.35059886
 C                  4.66657093    2.04306975   -3.37896006
 C                  4.69530628    3.25465260   -2.69000387
 C                  5.87536341    3.63395177   -1.93249151
 C                  6.98174278    2.78377223   -1.89309271
 C                  8.10254775    1.18071056   -0.58876356
 C                  8.07927614    0.49223460    0.62459213
 C                  7.59659286   -0.87744420    0.67553817
 C                  7.15034740   -1.50300450   -0.49029716
 C                  5.95521686   -2.32363831   -0.46080245
 C                  5.23531013   -2.10692748   -1.70705731
 C                  3.84115685   -2.05183184   -1.70397097
 C                  3.14183269   -1.06454287   -2.51080845
 C                  2.34911376    1.63331101   -2.62098965
 C                  1.57010135    0.69876029   -1.85407573
 C                  1.97576103   -0.61806337   -1.77883647
 C                  1.95784693   -1.34747950   -0.48851937
 C                  3.10874714   -2.22339979   -0.46073439
 C                  3.80196977   -2.45162646    0.73425555
 C                  5.25260717   -2.49451884    0.73484123
 C                  5.71900305   -1.84513837    1.95078093
 C                  6.86596558   -1.05033638    1.91901774
 C                  7.69223489    2.57390584   -0.64402068
 C                  7.64420114    1.16639993    1.83620412
 C                  5.32700576   -0.21127301   -3.28754789
 N                 -0.28087211   -3.87801859   -1.06017995
 K                  1.97193450   -5.54852857   -1.55922944
 N                  1.93961609   -5.83455049    1.30250788
 C                 -0.01247310   -7.50505655   -2.32670045
 K                 -0.02299358   -3.92650502    2.08164151
 C                  1.57251777   -6.94307578    1.47221807
 N                 -1.07021328   -7.80440467   -1.89773379
 K                 -0.77066450   -8.56753520    0.87952383
 K                 -2.77244196   -5.59026773   -1.33877540
 N                 -2.24791265   -5.74264397    1.97037439
 C                 -2.80513894   -6.56296894    1.33165142

60 61 F

solventname=c60
eps=4.08
epsinf=3.83

--link1--
%nprocshared=24
%mem=41GB
%chk=tsdiskcn4b
#p opt=(modredundant,calcfc,noeigentest,ts,maxstep=8) freq=noraman b3lyp 6-31g(d) scrf=(pcm,solvent=generic,read) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024) guess=read geom=checkpoint

TS

0 1

60 61 A

solventname=c60
eps=4.08
epsinf=3.83


