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

Direct TS

0 1
 C                 -3.77005920    2.66271269    2.43130607
 C                 -3.05403679    3.16578206    1.27158827
 C                 -3.76743429    3.68050525    0.18261782
 C                 -5.21941634    3.69734047    0.20653317
 C                 -5.90398078    3.21018301    1.32205591
 C                 -5.16404664    2.68795808    2.45977051
 C                 -3.04994609    1.51091165    2.94617016
 C                 -1.88783570    1.29242867    2.11601160
 C                 -1.88989390    2.33263748    1.05922971
 C                 -1.47634329    2.03680348   -0.22299411
 C                 -3.34641217    3.35232943   -1.15868083
 C                 -5.69496278    3.38165884   -1.13158213
 C                 -6.83369154    2.58921894   -1.29731259
 C                 -7.54701158    2.08815418   -0.13551457
 C                 -7.08990654    2.39231395    1.14904309
 C                 -7.09107918    1.37107683    2.18585656
 C                 -5.90187643    1.55346679    2.99582098
 C                 -5.21321128    0.44487441    3.49150839
 C                 -3.76240403    0.42449237    3.47269894
 C                 -1.48562915    0.00424634    1.82675574
 C                 -2.23532205   -1.10916603    2.32506327
 C                 -3.34440922   -0.91947550    3.15457333
 C                 -4.52943607   -1.75137099    2.99712050
 C                 -5.68520714   -0.90092727    3.18997238
 C                 -6.83409603   -1.07640838    2.41092184
 C                 -7.54128499    0.08089896    1.89372140
 C                 -8.01071969   -0.23618723    0.55450069
 C                 -8.01366875    0.74571529   -0.43811366
 C                 -4.53447774    3.16513291   -1.97690049
 C                 -6.00807002   -1.09342495   -2.92976081
 C                 -5.30732206   -0.00100019   -3.44450919
 C                 -3.85502011   -0.01201175   -3.45265519
 C                 -3.15364957   -1.10677431   -2.93414449
 C                 -3.88878051   -2.23671916   -2.39452773
 C                 -6.00659094   -2.74687405   -1.26009357
 C                 -7.17068403   -1.90544747   -1.05516446
 C                 -7.17259887   -0.88148935   -2.09111662
 C                 -7.58807657    0.41703898   -1.78825034
 C                 -6.85987294    1.55605251   -2.32014263
 C                 -5.74180525    1.35052980   -3.13258647
 C                 -3.39415547    1.32231314   -3.15672851
 C                 -2.25811510    1.48684552   -2.35984422
 C                 -1.51606833    0.35084245   -1.87200977
 C                 -1.95551996   -0.92231029   -2.15004323
 C                 -3.15757285   -2.76797248   -1.27626411
 C                 -3.84716309   -3.25995922   -0.17052164
 C                 -5.29905420   -3.23960304   -0.16016916
 C                 -7.58319562   -1.58846858    0.24033878
 C                 -6.85179951   -2.10521539    1.38581587
 C                 -5.73133157   -2.91709990    1.18703654
 C                 -4.53985901   -2.73512531    2.00290167
 C                 -3.37460102   -2.99015711    1.17455613
 C                 -2.25746132   -2.13339911    1.28385222
 C                 -1.48123229   -1.69717781    0.17668929
 C                 -0.78667748   -0.38642001    0.53555349
 C                 -0.78307149    0.73287432   -0.59382019
 C                 -4.55662361    2.17300128   -2.95670364
 C                 -2.23416709    2.52257676   -1.34255129
 C                 -5.28733880   -2.24451221   -2.41236549
 C                 -1.85464866   -2.05676635   -1.15605554
 C                 -0.60761803   -3.38894109   -1.96067831
 N                 -0.18398769   -4.47857768   -1.83332824
 C                  3.79894013    0.48384421    3.46933665
 C                  5.25064505    0.49428184    3.48161990
 C                  5.94518811    1.58649134    2.95804920
 C                  5.21456290    2.71432238    2.40101937
 C                  3.82034564    2.69618913    2.37647108
 C                  3.09436956    1.56071912    2.91780561
 C                  3.36416062   -0.86349555    3.18810842
 C                  4.54371087   -1.70061533    3.02430904
 C                  5.71244350   -0.85771969    3.20675976
 C                  6.84771920   -1.06104960    2.41943381
 C                  7.12687362    1.37500623    2.14444571
 C                  5.95389006    3.20688215    1.24927112
 C                  5.26722267    3.67457166    0.12682483
 C                  3.81534777    3.66869923    0.10869568
 C                  3.10262027    3.18002778    1.20999177
 C                  1.93059101    2.35319033    1.01920612
 C                  1.92534388    1.33288943    2.09548916
 C                  1.49762994    0.04570232    1.84509600
 C                  2.24445613   -1.06480497    2.37397312
 C                  4.55532408   -2.71518478    2.06729839
 C                  3.38565615   -2.94056558    1.23008924
 C                  2.25814874   -2.12081910    1.37402829
 C                  1.51782198   -1.66197708    0.22774753
 C                  0.79910555   -0.36462597    0.55840262
 C                  0.80155299    0.73473638   -0.59808534
 C                  1.50828647    2.03748699   -0.25550074
 C                  2.26363998    2.49866494   -1.38841982
 C                  3.38555025    3.31832208   -1.22405912
 C                  7.13218476    2.37718441    1.08770170
 C                  5.75581271    1.25689281   -3.16651756
 C                  6.87726918    1.46728551   -2.36169683
 C                  7.59681720    0.33315445   -1.80880958
 C                  7.16775602   -0.96716965   -2.08251055
 C                  6.00088536   -1.18585894   -2.91511279
 C                  3.85523940   -0.09524861   -3.45923831
 C                  3.40689048    1.24936799   -3.18569708
 C                  4.57830111    2.09225009   -3.00273625
 C                  4.56792530    3.10405935   -2.04366177
 C                  5.73409742    3.32544078   -1.20594903
 C                  6.86612350    2.52300985   -1.36105682
 C                  8.03236321    0.68668539   -0.46814796
 C                  8.02818332   -0.27334711    0.54477288
 C                  7.58700922   -1.62877061    0.26099415
 C                  7.16231693   -1.96903253   -1.02518478
 C                  5.99205948   -2.80583554   -1.20500933
 C                  5.26860787   -2.31799472   -2.36944638
 C                  3.87452599   -2.30707593   -2.36667909
 C                  3.14885228   -1.17648941   -2.92026959
 C                  2.27315301    1.44467506   -2.38903265
 C                  1.52288950    0.32945906   -1.87634096
 C                  1.96604312   -0.95421320   -2.11694441
 C                  1.96761774   -1.97055086   -1.03770073
 C                  3.14349288   -2.79412703   -1.21076523
 C                  3.83962493   -3.28426278   -0.09884306
 C                  5.29212257   -3.28074884   -0.09332977
 C                  5.73522542   -2.92808309    1.24665235
 C                  6.85900990   -2.11665192    1.41905832
 C                  7.57896090    2.03950699   -0.19155788
 C                  7.56925891    0.07752980    1.87821705
 C                  5.30731477   -0.09761488   -3.44867599
 K                 -0.13164770   -5.02487392    0.82333078

solventname=c60
eps=4.08
epsinf=3.83



