%nprocshared=24
%mem=41GB
%chk=tsc60cnkcn4attack2
#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                 -4.30453196    3.48995261    2.37596865
 C                 -3.35273816    3.85430373    1.33530673
 C                 -3.81685051    4.32485785    0.10144817
 C                 -5.24432643    4.42324316   -0.14563734
 C                 -6.15529249    4.06758338    0.84959120
 C                 -5.67433489    3.59244065    2.13689759
 C                 -3.77737719    2.33804238    3.08814885
 C                 -2.50697546    1.99074005    2.48072824
 C                 -2.23558557    2.93802828    1.40010444
 C                 -1.62912985    2.48829123    0.22774425
 C                 -3.18561237    3.86397477   -1.11609823
 C                 -5.49289854    4.03775878   -1.52770219
 C                 -6.64073274    3.31200539   -1.85521035
 C                 -7.58822474    2.94196926   -0.81812539
 C                 -7.34535936    3.30886567    0.50822170
 C                 -7.60585643    2.36944627    1.58458430
 C                 -6.57314522    2.54341948    2.59349773
 C                 -6.06827417    1.43680994    3.27506641
 C                 -4.64205421    1.33122593    3.52978874
 C                 -2.15951246    0.65381265    2.33150577
 C                 -3.04042099   -0.39001001    2.79876156
 C                 -4.26706373   -0.06419183    3.38527275
 C                 -5.45185594   -0.82281155    3.04677187
 C                 -6.56769679    0.10284208    2.97090661
 C                 -7.55822783   -0.06329474    2.00204399
 C                 -8.08566371    1.09145852    1.29430259
 C                 -8.33219197    0.70509725   -0.08483244
 C                 -8.08723868    1.61252262   -1.11950583
 C                 -4.21884927    3.68959230   -2.12671393
 C                 -5.81356306   -0.51990581   -3.09452079
 C                 -4.95268099    0.48685151   -3.52612905
 C                 -3.52230705    0.38426223   -3.27616436
 C                 -3.00765089   -0.71578840   -2.57988504
 C                 -3.90712511   -1.76388386   -2.12532330
 C                 -6.22173582   -2.04287756   -1.35431070
 C                 -7.34245945   -1.12195066   -1.41512740
 C                 -7.08892351   -0.17790453   -2.49295504
 C                 -7.45478895    1.16204632   -2.34703205
 C                 -6.56001756    2.21304548   -2.80185912
 C                 -5.33289828    1.88127093   -3.38112720
 C                 -3.02590678    1.70410679   -2.97528286
 C                 -2.04679574    1.85796531   -1.98951066
 C                 -1.50911187    0.71021067   -1.30180414
 C                 -1.94428057   -0.55501738   -1.62343991
 C                 -3.43137977   -2.27722527   -0.87296719
 C                 -4.32677519   -2.59962988    0.12934806
 C                 -5.75024104   -2.49048286   -0.11435061
 C                 -7.94607104   -0.68538735   -0.23512277
 C                 -7.46283496   -1.15975871    1.05341112
 C                 -6.38426385   -2.04248947    1.11096376
 C                 -5.35126437   -1.87641408    2.12410971
 C                 -4.08011981   -2.23099932    1.53789544
 C                 -2.94733023   -1.48061391    1.84063514
 C                 -1.95312544   -1.12155715    0.84003074
 C                 -1.54481997    0.18776596    1.09109850
 C                 -1.09318815    1.11639079    0.07593801
 C                 -4.13905254    2.63581400   -3.03914199
 C                 -2.12279971    2.95670156   -1.04683520
 C                 -5.28100361   -1.67367195   -2.38477249
 C                 -2.01671385   -1.69634835   -0.57438307
 C                  4.43741075   -1.61294768    2.27283584
 C                  5.85348682   -1.30094035    2.28420739
 C                  6.31363510   -0.11837778    2.87022840
 C                  5.36360369    0.81311385    3.45358320
 C                  3.99708737    0.52574566    3.43580200
 C                  3.51863984   -0.71033855    2.83045951
 C                  4.13188230   -2.24688647    1.00216204
 C                  5.36324294   -2.34667541    0.23399868
 C                  6.42847231   -1.75833514    1.02759302
 C                  7.42988390   -1.01331645    0.40539758
 C                  7.35436952    0.65697309    2.21836435
 C                  5.82416936    2.16394672    3.17228258
 C                  4.90205259    3.17306654    2.88907784
 C                  3.48125858    2.87378297    2.87245059
 C                  3.03856225    1.57338885    3.13797538
 C                  1.96966121    0.99157876    2.34759575
 C                  2.25838840   -0.43349300    2.17651268
 C                  1.98682420   -1.01807020    0.92585478
 C                  2.93138262   -1.96860738    0.34650167
 C                  5.33893464   -2.16255886   -1.14945968
 C                  4.08446230   -1.87638344   -1.82795924
 C                  2.90458876   -1.78083777   -1.08749976
 C                  1.94264762   -0.72355634   -1.37291221
 C                  1.35214901   -0.28886162   -0.13337689
 C                  0.91769967    1.07922844    0.05800456
 C                  1.38450190    1.72241620    1.32347543
 C                  1.85810159    3.05409076    1.03513622
 C                  2.87463875    3.63374603    1.80104955
 C                  7.05585335    2.06806138    2.40998165
 C                  5.12634361    4.49667465   -0.99967611
 C                  6.33248323    4.22115962   -0.35274742
 C                  7.27735349    3.28908155   -0.94410357
 C                  6.97935763    2.67016887   -2.15998030
 C                  5.72407990    2.95496587   -2.83125624
 C                  3.39544630    3.55028436   -2.27969472
 C                  2.82755157    4.00500387   -1.02854743
 C                  3.89606367    4.59250842   -0.23294853
 C                  3.91917069    4.41104260    1.14894901
 C                  5.17350260    4.12521963    1.82343181
 C                  6.35628704    4.03106360    1.08821544
 C                  7.88811542    2.52584398    0.13107011
 C                  8.17143299    1.17067042   -0.05236577
 C                  7.86606880    0.52663622   -1.31829231
 C                  7.27775831    1.25932308   -2.34996467
 C                  6.21349319    0.67416264   -3.14750526
 C                  5.24858291    1.72094173   -3.43805738
 C                  3.88330510    1.43127377   -3.44755268
 C                  2.93982748    2.36111640   -2.85634338
 C                  1.83378520    3.24377083   -0.40630102
 C                  1.34665361    2.02865701   -1.01337283
 C                  1.89599006    1.58795378   -2.20947717
 C                  2.18480591    0.16902358   -2.42281065
 C                  3.41826416    0.07858843   -3.16928520
 C                  4.35124071   -0.93214183   -2.89591024
 C                  5.76808972   -0.62142003   -2.87324243
 C                  6.38206218   -1.38585719   -1.79789016
 C                  7.40626974   -0.82349649   -1.03604750
 C                  7.31621204    2.98156527    1.38651601
 C                  7.90463989    0.21924388    1.01268848
 C                  4.81606056    3.85261829   -2.26652582
 C                 -0.95701912   -2.79460980   -0.78046283
 N                 -0.19514658   -3.68737553   -0.85122808
 K                  2.23945978   -4.64067497   -1.98202588
 N                  2.95797824   -5.00718916    0.77873346
 C                  0.72758516   -7.05368833   -2.47850213
 K                  0.79688289   -3.75248461    2.14068313
 C                  2.95106104   -6.17866982    0.92007081
 N                 -0.08014003   -7.65110348   -1.85954241
 C                 -0.82312947   -6.11763244    2.34718164
 K                  1.05619854   -8.37930332    0.70243285
 K                 -2.13143225   -6.02311314   -0.73960177
 N                 -1.27467529   -7.04276856    1.77130773

56 85 F

solventname=c60
eps=4.08
epsinf=3.83

--link1--
%nprocshared=24
%mem=41GB
%chk=tsc60cnkcn4attack2
#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

56 85 A

solventname=c60
eps=4.08
epsinf=3.83


