%nprocshared=24
%mem=41GB
%chk=tsdiskcn4
#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                 -3.54959419    4.10552954    1.88295206
 C                 -2.82306236    4.33933971    0.64699544
 C                 -3.52357624    4.65635822   -0.52260869
 C                 -4.97334202    4.73628596   -0.50317374
 C                 -5.66816263    4.50804523    0.68635864
 C                 -4.94101928    4.19228540    1.90524784
 C                 -2.87201861    3.05052691    2.61615861
 C                 -1.72592604    2.62508818    1.84656430
 C                 -1.69475671    3.43437740    0.60467156
 C                 -1.30314356    2.87385346   -0.59297279
 C                 -3.12616882    4.05200465   -1.77173251
 C                 -5.47109197    4.18107672   -1.75212557
 C                 -6.64143599    3.41827042   -1.75784830
 C                 -7.36517391    3.18676798   -0.52021690
 C                 -6.88671702    3.72077274    0.67850731
 C                 -6.92049832    2.92633463    1.89716656
 C                 -5.71909235    3.21746612    2.65528714
 C                 -5.07129211    2.20237787    3.36126602
 C                 -3.62282437    2.12010553    3.34768297
 C                 -1.37624922    1.29035468    1.81964220
 C                 -2.16647885    0.32941945    2.52805482
 C                 -3.26070640    0.72417009    3.30332938
 C                 -4.47899700   -0.07377579    3.31314428
 C                 -5.59844498    0.84386151    3.33256040
 C                 -6.75917577    0.56402053    2.60339440
 C                 -7.42362048    1.62324472    1.86662442
 C                 -7.91535211    1.06625771    0.61684946
 C                 -7.88693042    1.83108727   -0.55067609
 C                 -4.32670687    3.75456555   -2.53702670
 C                 -5.97503145   -0.54481483   -2.62667813
 C                 -5.23548656    0.39459864   -3.34733150
 C                 -3.78507199    0.32352008   -3.35243890
 C                 -3.12385601   -0.67398027   -2.62684987
 C                 -3.89906243   -1.64375581   -1.87422669
 C                 -6.02673777   -1.83312139   -0.66262933
 C                 -7.15464750   -0.92131454   -0.62911345
 C                 -7.12370766   -0.12391310   -1.84740861
 C                 -7.48500385    1.22442043   -1.80839511
 C                 -6.71632508    2.20488641   -2.55525408
 C                 -5.61358542    1.79738163   -3.31008772
 C                 -3.26945650    1.67005070   -3.32698911
 C                 -2.12200685    1.94310605   -2.57807958
 C                 -1.42167908    0.89750891   -1.87460159
 C                 -1.91354392   -0.38635573   -1.89468284
 C                 -3.18121576   -1.97200013   -0.67282516
 C                 -3.88137487   -2.20621778    0.50795021
 C                 -5.33100155   -2.12584034    0.51338159
 C                 -7.54434220   -0.33742275    0.57739391
 C                 -6.82546727   -0.64590220    1.80284634
 C                 -5.73991581   -1.52556412    1.76955943
 C                 -4.53589440   -1.23354175    2.53335964
 C                 -3.38860097   -1.69416432    1.77259616
 C                 -2.23834258   -0.87802860    1.70982964
 C                 -1.45309915   -0.70259552    0.53941724
 C                 -0.70293313    0.62350699    0.63173389
 C                 -0.66425039    1.49575656   -0.69745568
 C                 -4.39555606    2.58971640   -3.30035772
 C                 -2.04942541    3.15801608   -1.78671203
 C                 -5.29684383   -1.59871332   -1.89113870
 C                 -1.84891743   -1.30568121   -0.69604563
 C                 -0.66232634   -2.81456650   -1.21948329
 C                  3.93557550    1.88158446    3.33450593
 C                  5.38654210    1.83943042    3.34446449
 C                  6.11707698    2.77909187    2.61488624
 C                  5.42473140    3.80083723    1.84536516
 C                  4.03085169    3.83077699    1.82477590
 C                  3.26749037    2.85331739    2.58018995
 C                  3.44890346    0.52288890    3.32656139
 C                  4.59552054   -0.37393340    3.33189140
 C                  5.79584561    0.44354730    3.34327604
 C                  6.91674511    0.04555477    2.61193307
 C                  7.28386759    2.36615933    1.85952086
 C                  6.17315238    4.02716975    0.61903593
 C                  5.49603314    4.28876233   -0.57373614
 C                  4.04502777    4.33420775   -0.59042368
 C                  3.32299871    4.10064549    0.58567000
 C                  2.11999669    3.29732142    0.56249551
 C                  2.08487951    2.51141796    1.81943368
 C                  1.60698642    1.21776639    1.82993159
 C                  2.31661012    0.20692945    2.56819182
 C                  4.56254614   -1.55721396    2.59456689
 C                  3.37960079   -1.89878186    1.81825519
 C                  2.28434407   -1.02541901    1.79710880
 C                  1.55243979   -0.77573666    0.58296273
 C                  0.88354852    0.58727976    0.65015244
 C                  0.91912969    1.43494341   -0.70172763
 C                  1.67686068    2.75169503   -0.62412342
 C                  2.44025753    2.95030014   -1.82566949
 C                  3.59272129    3.74326870   -1.82709222
 C                  7.31850962    3.13810982    0.62522252
 C                  5.87015745    1.25021587   -3.32196241
 C                  7.00446137    1.57332223   -2.57490572
 C                  7.68549431    0.54498228   -1.80819410
 C                  7.20660232   -0.76646141   -1.81868659
 C                  6.02639225   -1.10150145   -2.59135865
 C                  3.91889635   -0.06014030   -3.34082653
 C                  3.52275193    1.32776130   -3.33935190
 C                  4.72578809    2.14522258   -3.32710565
 C                  4.76006093    3.32647974   -2.58781466
 C                  5.93968474    3.66518663   -1.81065800
 C                  7.03986659    2.80587145   -1.80353028
 C                  8.14373140    1.14031869   -0.56437273
 C                  8.11151461    0.40096603    0.61862603
 C                  7.61846444   -0.96598567    0.60917222
 C                  7.17195243   -1.53791878   -0.58388596
 C                  5.97036950   -2.34889132   -0.59432971
 C                  5.25685736   -2.07450721   -1.83225894
 C                  3.86434478   -2.01055226   -1.83179970
 C                  3.17697514   -0.98561257   -2.59854221
 C                  2.40315446    1.71960299   -2.59736369
 C                  1.61557600    0.75743294   -1.87421628
 C                  2.00959870   -0.56383377   -1.85515637
 C                  1.98144013   -1.34549367   -0.59602620
 C                  3.12458272   -2.23061340   -0.60237022
 C                  3.81037344   -2.51637896    0.58439976
 C                  5.26176117   -2.56721920    0.58927824
 C                  5.72756139   -1.97325785    1.83275351
 C                  6.88159364   -1.18685047    1.84082347
 C                  7.74288361    2.53711447   -0.56150028
 C                  7.67583031    1.02608479    1.85584911
 C                  5.36974196   -0.11523458   -3.32994528
 N                 -0.43271980   -3.92232520   -1.03282036
 K                  1.87076296   -5.59400604   -1.22332028
 N                  1.52168966   -5.87162161    1.62796166
 C                  0.09516591   -7.63213236   -2.23287073
 K                 -0.62936843   -4.09525241    2.16452714
 C                  1.12262418   -6.97893793    1.71368734
 N                 -0.97313844   -8.04554472   -1.94984448
 C                 -2.78573965   -5.93766440    1.73114391
 K                 -1.03854750   -8.74855611    0.84603075
 K                 -2.67565512   -5.75000307   -1.67480125
 N                 -3.11795753   -6.76358288    0.95721683

60 61 F

solventname=c60
eps=4.08
epsinf=3.83

--link1--
%nprocshared=24
%mem=41GB
%chk=tsdiskcn4
#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


