%nprocshared=24
%mem=41GB
#p irc=(calcfc,lqa,tight,maxpoints=127,stepsize=17) b3lyp 6-31g(d) scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=256,conver=6)

IRC

-1 1
 C                 -3.71374196    3.24638394    1.31438497
 C                 -2.93551818    3.20652410    0.08761400
 C                 -3.57834416    3.29260870   -1.15344195
 C                 -5.02536572    3.39833684   -1.21472698
 C                 -5.77214039    3.42773221   -0.03501845
 C                 -5.10357605    3.35684097    1.25442447
 C                 -3.09079286    2.35896605    2.28004702
 C                 -1.92781870    1.76440811    1.66069208
 C                 -1.83448209    2.29165408    0.27980601
 C                 -1.41061653    1.48688375   -0.75624232
 C                 -3.14577897    2.43851571   -2.23213411
 C                 -5.48609558    2.61017154   -2.34784236
 C                 -6.67470447    1.88021899   -2.25029587
 C                 -7.45418559    1.91687348   -1.02603340
 C                 -7.00862755    2.67298878    0.06270001
 C                 -7.11241074    2.14625818    1.41211598
 C                 -5.93403642    2.56704571    2.15036217
 C                 -5.33909269    1.70660163    3.07407080
 C                 -3.89446641    1.60567293    3.15008167
 C                 -1.62170199    0.44026140    1.90749532
 C                 -2.45236504   -0.34127742    2.78188265
 C                 -3.56321992    0.22211040    3.40784656
 C                 -4.80000949   -0.54000187    3.51821663
 C                 -5.89528817    0.37504717    3.29588072
 C                 -7.03443722   -0.02753050    2.58779649
 C                 -7.64240934    0.87034867    1.62309491
 C                 -8.09781637    0.08012117    0.49119351
 C                 -8.00883443    0.59270634   -0.80595409
 C                 -4.32188185    2.01263883   -2.97453752
 C                 -6.07671441   -2.18816092   -2.27221096
 C                 -5.28512985   -1.42564386   -3.13361534
 C                 -3.83844303   -1.52070297   -3.05814623
 C                 -3.23100037   -2.36326920   -2.11954660
 C                 -4.05828081   -3.15406403   -1.22270737
 C                 -6.23552177   -3.04991816   -0.09855192
 C                 -7.34264560   -2.13120875   -0.29557940
 C                 -7.24544085   -1.59797801   -1.64678708
 C                 -7.57358165   -0.26333125   -1.89645006
 C                 -6.74959262    0.53307779   -2.78967629
 C                 -5.62713910   -0.03853324   -3.39569901
 C                 -3.28873617   -0.20716163   -3.27804744
 C                 -2.16421322    0.18957508   -2.54849914
 C                 -1.51471391   -0.70773328   -1.62674162
 C                 -2.03372411   -1.96524242   -1.43019196
 C                 -3.40074138   -3.27240775    0.03871076
 C                 -4.14140288   -3.20636082    1.20915289
 C                 -5.58461244   -3.09869636    1.13888651
 C                 -7.75967125   -1.30770214    0.75047025
 C                 -7.09366315   -1.37106650    2.04300784
 C                 -6.02509199   -2.25119950    2.22952153
 C                 -4.84502676   -1.83241676    2.97246786
 C                 -3.68305423   -2.44904061    2.37293182
 C                 -2.51767129   -1.68267916    2.21109311
 C                 -1.68311713   -1.72352616    1.05801070
 C                 -1.05952632   -0.46119854    0.86991877
 C                 -0.78172865    0.09718270   -0.55073507
 C                 -4.38959874    0.71772753   -3.49018434
 C                 -2.09456308    1.53756791   -2.01347742
 C                 -5.45810227   -3.08473190   -1.31258174
 C                 -1.95069524   -2.71164268   -0.07204274
 C                 -0.98159336   -3.82792310   -0.11770961
 N                 -0.24018574   -4.72198156   -0.14345127
 C                  3.94928014    1.94863016    2.95575041
 C                  5.39268577    2.01974573    2.86173196
 C                  6.00333060    2.76423473    1.84630257
 C                  5.18051700    3.45248356    0.86729437
 C                  3.78934671    3.36792180    0.94033479
 C                  3.15061153    2.59881431    2.00042803
 C                  3.59586755    0.60659228    3.36944968
 C                  4.82223626   -0.15658229    3.54834230
 C                  5.93601421    0.72027133    3.23181042
 C                  7.05549668    0.21505769    2.56907341
 C                  7.16387324    2.23404855    1.15646547
 C                  5.84410603    3.36443060   -0.42567140
 C                  5.09057067    3.21153310   -1.59162436
 C                  3.64313334    3.13646760   -1.51439843
 C                  3.00669755    3.20479488   -0.26877808
 C                  1.89049599    2.33535748    0.03358531
 C                  1.96777336    1.97227361    1.46154073
 C                  1.63989085    0.67074025    1.84419764
 C                  2.47265082   -0.01273670    2.81981037
 C                  4.86952167   -1.50382609    3.18708448
 C                  3.69213125   -2.15089039    2.62983609
 C                  2.52283742   -1.40944411    2.44459866
 C                  1.72766947   -1.56117939    1.24363813
 C                  1.04376035   -0.30629612    0.94367460
 C                  0.79100223    0.09372792   -0.54100224
 C                  1.44168946    1.43303545   -0.91069425
 C                  2.12505040    1.32500317   -2.16718458
 C                  3.19051075    2.17486899   -2.48994660
 C                  7.06946654    2.61006808   -0.24745133
 C                  5.62483088   -0.46104341   -3.36509628
 C                  6.75813302    0.15486968   -2.82894400
 C                  7.57123747   -0.54580747   -1.85050616
 C                  7.21963235   -1.83670955   -1.44736575
 C                  6.04138488   -2.47422367   -2.00114064
 C                  3.81108586   -1.87039399   -2.86467986
 C                  3.28143071   -0.57955902   -3.23109778
 C                  4.40035691    0.29926865   -3.54374798
 C                  4.35608332    1.64429792   -3.18160834
 C                  5.53342640    2.28774638   -2.62446505
 C                  6.71126008    1.55809722   -2.45048816
 C                  8.03041580    0.42283991   -0.87025616
 C                  8.11779980    0.06258335    0.47675997
 C                  7.76100816   -1.28156605    0.89742935
 C                  7.31473912   -2.21187173   -0.04373875
 C                  6.20167707   -3.08868696    0.26750216
 C                  5.40687581   -3.24233340   -0.93974308
 C                  4.01507889   -3.29233860   -0.85710987
 C                  3.20004023   -2.59438626   -1.83343752
 C                  2.16694231   -0.07812258   -2.54728818
 C                  1.50358933   -0.84707197   -1.52747727
 C                  2.03507313   -2.06647959   -1.15570756
 C                  2.12935052   -2.46082171    0.26634040
 C                  3.35162480   -3.20475017    0.43551325
 C                  4.12215321   -3.07333035    1.60224656
 C                  5.56636428   -2.99779404    1.50978133
 C                  6.03246560   -2.02973572    2.49245537
 C                  7.10405461   -1.18825599    2.19060741
 C                  7.49529442    1.72256444   -1.23883843
 C                  7.68392716    0.98718865    1.51002564
 C                  5.25915923   -1.80504286   -2.94523253

solventname=c60
eps=4.08
epsinf=3.83


