%nprocshared=24
%mem=41GB
#p opt=(loose,modredundant,calcfc,ts,noeigentest,maxstep=8) b3lyp genecp scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) int(grid=fine)

Loose ts

0 1
 C                 -3.63512400    4.47178000    0.31330700
 C                 -2.85976900    4.05987500   -0.84562200
 C                 -3.50286500    3.77727200   -2.05697200
 C                 -4.94890700    3.87096500   -2.14781100
 C                 -5.69291400    4.25665800   -1.03076700
 C                 -5.02357400    4.56925400    0.22216200
 C                 -3.01865800    3.90736600    1.50109700
 C                 -1.86452200    3.14470100    1.08703100
 C                 -1.76720300    3.23348300   -0.38789800
 C                 -1.34994400    2.15389700   -1.13789400
 C                 -3.07908300    2.63659100   -2.83167200
 C                 -5.41721500    2.78328300   -2.99387900
 C                 -6.61144500    2.12611200   -2.68601300
 C                 -7.38793100    2.53292500   -1.52778800
 C                 -6.93449300    3.57517300   -0.71336300
 C                 -7.04064200    3.47675100    0.73251000
 C                 -5.85850800    4.08967600    1.31301800
 C                 -5.26966100    3.54021300    2.45326300
 C                 -3.82617300    3.45379500    2.55659600
 C                 -1.57648800    1.94982900    1.71632400
 C                 -2.40185800    1.47235300    2.79006500
 C                 -3.50692700    2.20698000    3.21595800
 C                 -4.74808800    1.52168100    3.54848400
 C                 -5.83671100    2.34037800    3.06313800
 C                 -6.97767700    1.75353400    2.50552100
 C                 -7.58166500    2.32791900    1.31512500
 C                 -8.03950000    1.23956500    0.46913100
 C                 -7.94861700    1.33943800   -0.92176500
 C                 -4.25955600    2.01580900   -3.41259800
 C                 -6.04189900   -1.77175100   -1.49396700
 C                 -5.25009500   -1.30813000   -2.54601100
 C                 -3.80425800   -1.38950900   -2.44409200
 C                 -3.20387200   -1.92236800   -1.29515300
 C                 -4.03112500   -2.40331800   -0.20086900
 C                 -6.19387000   -1.93660800    0.84224300
 C                 -7.27592900   -1.09755900    0.37703600
 C                 -7.19616300   -1.00497800   -1.07009000
 C                 -7.52062300    0.19451100   -1.70700800
 C                 -6.69689700    0.67965500   -2.79975700
 C                 -5.58154900   -0.05767900   -3.20838600
 C                 -3.24546300   -0.20289500   -3.04515500
 C                 -2.11761100    0.38807800   -2.46664200
 C                 -1.48333000   -0.19763000   -1.31489100
 C                 -2.00708500   -1.33854800   -0.75428100
 C                 -3.37321000   -2.14595200    1.04489500
 C                 -4.10848600   -1.71981600    2.14587100
 C                 -5.55082600   -1.62523800    2.04441500
 C                 -7.70303800   -0.00737600    1.13043400
 C                 -7.04373500    0.30964000    2.38643400
 C                 -5.98516700   -0.48610000    2.83185000
 C                 -4.80385200    0.12566200    3.41863700
 C                 -3.64459500   -0.65473700    3.03447100
 C                 -2.47792800    0.02146000    2.64950400
 C                 -1.64961300   -0.36818700    1.55573000
 C                 -1.03912600    0.77814200    0.99169800
 C                 -0.74682100    0.87672700   -0.52314300
 C                 -4.33925700    0.62638900   -3.52411000
 C                 -2.03356200    1.83473300   -2.35529500
 C                 -5.42743600   -2.34829400   -0.30852400
 C                 -1.92651500   -1.63858700    0.76627300
 C                  3.98232900    3.73880400    2.15103100
 C                  5.42538300    3.75021800    2.04478800
 C                  6.03938100    4.08240600    0.83381400
 C                  5.23426700    4.40594400   -0.32990800
 C                  3.84424000    4.37585800   -0.23867200
 C                  3.19679400    4.02994900    1.02175500
 C                  3.61232300    2.62801700    3.00363800
 C                  4.82778100    1.95546500    3.44191500
 C                  5.95230500    2.65269700    2.84560700
 C                  7.06227100    1.93059000    2.40429000
 C                  7.17429400    3.31543300    0.37656400
 C                  5.89784900    3.86376500   -1.50865700
 C                  5.14710800    3.32623100   -2.55524500
 C                  3.69900800    3.30357800   -2.46449600
 C                  3.06357300    3.81134000   -1.32244700
 C                  1.93864200    3.11537900   -0.74159400
 C                  2.00889300    3.26830400    0.72574500
 C                  1.66785300    2.18478100    1.53558100
 C                  2.48252300    1.87103000    2.69706900
 C                  4.85799200    0.56527100    3.57249900
 C                  3.67192200   -0.21956100    3.26707300
 C                  2.51587100    0.42981100    2.82901400
 C                  1.72834100   -0.11726100    1.74389800
 C                  1.07700000    0.96163400    1.02032300
 C                  0.81954300    0.83443600   -0.50551800
 C                  1.48434800    1.94697300   -1.31692600
 C                  2.15762500    1.39907000   -2.45716500
 C                  3.23561000    2.06821200   -3.04780200
 C                  7.10498700    3.19399100   -1.06975400
 C                  5.63246300   -0.74475000   -2.93886100
 C                  6.77273200    0.00467400   -2.64153200
 C                  7.57379200   -0.32370900   -1.47474800
 C                  7.20604500   -1.39058800   -0.65017200
 C                  6.01964300   -2.16498500   -0.95568000
 C                  3.79951100   -1.86565400   -1.98670400
 C                  3.28762200   -0.77647100   -2.78399200
 C                  4.41983900   -0.07611400   -3.37856900
 C                  4.39400200    1.31228600   -3.50450800
 C                  5.57911300    2.09412300   -3.19916700
 C                  6.74482700    1.45247000   -2.77507400
 C                  8.04411200    0.91888800   -0.88900100
 C                  8.12314200    1.04683600    0.49960300
 C                  7.75025600   -0.06242200    1.35945800
 C                  7.29488500   -1.25628400    0.79754400
 C                  6.16886500   -1.95546300    1.38879500
 C                  5.37409800   -2.50864200    0.30467600
 C                  3.98112100   -2.51138200    0.39244200
 C                  3.17927100   -2.17825200   -0.77058200
 C                  2.18043900   -0.05036500   -2.32362300
 C                  1.50771600   -0.40559600   -1.10100300
 C                  2.02387500   -1.42788800   -0.32350200
 C                  2.10583600   -1.31365200    1.14850300
 C                  3.31682000   -1.97160500    1.57357900
 C                  4.08901700   -1.45013500    2.62734600
 C                  5.53392700   -1.42944200    2.51980400
 C                  6.01241000   -0.18602500    3.10915700
 C                  7.09424500    0.48323800    2.53739900
 C                  7.52644000    2.01571700   -1.68921600
 C                  7.69534700    2.27539800    1.14455600
 C                  5.24827200   -1.85412100   -2.07884400
 C                 -0.95637900   -2.71972800    1.03313500
 N                 -0.22006600   -3.59413000    1.23958800
 K                  1.85943500   -5.49859000    1.68348100
 N                 -0.50548700   -7.15651500    2.29438200
 K                 -2.93034000   -5.74020100    1.55398800
 C                 -0.45221700   -7.98999700    1.46085800
 C                 -2.47676700   -5.73333900   -1.31057500
 K                 -0.04845500   -8.05146700   -1.45120800
 K                  0.11830200   -3.62799300   -2.62357400
 N                 -1.76561400   -5.71731700   -2.25068500
 C                  2.10822900   -5.55631600   -1.81770000
 N                  2.33150200   -6.36228400   -0.98641900

36 71 F

C N 0
6-31G(d)
****
K 0
LanL2DZ
****

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


