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

Loose ts

0 1
 C                 -3.68467400    4.47052200    0.33055300
 C                 -2.90013000    4.07069600   -0.82601700
 C                 -3.53668700    3.78779900   -2.04044400
 C                 -4.98338200    3.86991400   -2.13733100
 C                 -5.73571000    4.24508600   -1.02257300
 C                 -5.07385300    4.55757600    0.23394000
 C                 -3.06808000    3.90649300    1.51802800
 C                 -1.90297800    3.15725600    1.10706000
 C                 -1.79972900    3.25356000   -0.36743300
 C                 -1.36673600    2.18193900   -1.12038800
 C                 -3.09974700    2.65383900   -2.81733400
 C                 -5.43966000    2.78190200   -2.98890200
 C                 -6.63000900    2.11355700   -2.68825400
 C                 -7.41562300    2.50941900   -1.53320300
 C                 -6.97331000    3.55198600   -0.71343100
 C                 -7.08507700    3.44618100    0.73099100
 C                 -5.91018100    4.06652400    1.31855300
 C                 -5.32157800    3.51723400    2.45828300
 C                 -3.87724300    3.44242000    2.56717100
 C                 -1.60190300    1.96423500    1.73433900
 C                 -2.43527000    1.47415600    2.79788700
 C                 -3.54994500    2.19590200    3.22158400
 C                 -4.78801100    1.49959600    3.54470900
 C                 -5.88193500    2.31025600    3.05924900
 C                 -7.01671500    1.71597600    2.49509900
 C                 -7.62035100    2.29044900    1.30564900
 C                 -8.07019000    1.20175300    0.45457800
 C                 -7.97197900    1.30895900   -0.93521900
 C                 -4.27343400    2.02631800   -3.40535300
 C                 -6.04062700   -1.78197300   -1.50936500
 C                 -5.24449200   -1.30689900   -2.55425400
 C                 -3.79793900   -1.37539000   -2.44644100
 C                 -3.19809400   -1.90562100   -1.29774900
 C                 -4.02819200   -2.39773200   -0.21132400
 C                 -6.20862500   -1.96232200    0.82348800
 C                 -7.31504900   -1.14397000    0.35803700
 C                 -7.21031000   -1.03323400   -1.09005700
 C                 -7.53323500    0.16967900   -1.72293500
 C                 -6.70475000    0.66713900   -2.80763300
 C                 -5.58134700   -0.05791300   -3.21441900
 C                 -3.24376600   -0.18317500   -3.04038400
 C                 -2.12094600    0.41398600   -2.45637600
 C                 -1.48293600   -0.17009200   -1.30478400
 C                 -2.00571800   -1.31518100   -0.75086300
 C                 -3.37486400   -2.14138000    1.03593200
 C                 -4.12089500   -1.72677100    2.13232500
 C                 -5.56558500   -1.64676000    2.02601300
 C                 -7.73339000   -0.04797900    1.11268300
 C                 -7.07494500    0.27189500    2.37066600
 C                 -6.00948100   -0.51452600    2.81623800
 C                 -4.83323700    0.10498400    3.40798400
 C                 -3.66567800   -0.66172900    3.02398000
 C                 -2.49928300    0.02415200    2.64904300
 C                 -1.65405800   -0.35340200    1.56372400
 C                 -1.03693500    0.80095000    1.01076100
 C                 -0.74852500    0.90867400   -0.50878800
 C                 -4.34226000    0.63737900   -3.52179200
 C                 -2.04757400    1.86040700   -2.34042500
 C                 -5.42672500   -2.35625800   -0.32388900
 C                 -1.92797300   -1.62228400    0.76737500
 C                  4.05218700    3.75227100    2.13752200
 C                  5.49702700    3.74872000    2.02742300
 C                  6.11761200    4.07151100    0.81645300
 C                  5.30523900    4.39394400   -0.34352600
 C                  3.91313100    4.37801900   -0.24755200
 C                  3.26346500    4.04685000    1.01373700
 C                  3.66813500    2.65154600    2.99549200
 C                  4.87668300    1.96764400    3.43294700
 C                  6.01000900    2.64822700    2.83127000
 C                  7.11118700    1.91285700    2.38998500
 C                  7.26003700    3.30305000    0.35886700
 C                  5.95734900    3.84103500   -1.52192400
 C                  5.19199900    3.30843000   -2.56148800
 C                  3.74351700    3.30325900   -2.46516500
 C                  3.11797900    3.82123500   -1.32415900
 C                  1.98116400    3.14424000   -0.73892400
 C                  2.06068400    3.30072200    0.72723000
 C                  1.69942900    2.22885500    1.54382300
 C                  2.52386000    1.90987300    2.69833500
 C                  4.88831800    0.57879700    3.56991600
 C                  3.69032800   -0.19118000    3.27272500
 C                  2.53923800    0.46949000    2.83639200
 C                  1.73490500   -0.07271100    1.76032300
 C                  1.07691100    1.00905300    1.03955500
 C                  0.82203700    0.87713200   -0.49179400
 C                  1.50145900    1.98221700   -1.30905400
 C                  2.17178800    1.42148200   -2.44755300
 C                  3.25943600    2.07288100   -3.04218900
 C                  7.16483300    3.16502800   -1.08794500
 C                  5.62145800   -0.76711200   -2.93348300
 C                  6.77243000   -0.03098700   -2.64312000
 C                  7.57451300   -0.36487700   -1.47917000
 C                  7.19561900   -1.42351100   -0.64949300
 C                  5.99816800   -2.18435300   -0.94712000
 C                  3.77767600   -1.86035800   -1.97024200
 C                  3.27598700   -0.76811100   -2.76959900
 C                  4.41519200   -0.08550600   -3.37090000
 C                  4.40666000    1.30208700   -3.50113600
 C                  5.60377800    2.06960800   -3.20340800
 C                  6.76355500    1.41644400   -2.78177000
 C                  8.06526700    0.87406200   -0.90084500
 C                  8.15405100    1.00738400    0.48669900
 C                  7.76577600   -0.09367900    1.35139300
 C                  7.29199700   -1.28411600    0.79694300
 C                  6.15922600   -1.96647400    1.39487000
 C                  5.35280600   -2.51422400    0.31668100
 C                  3.95994200   -2.49799600    0.40981700
 C                  3.15752200   -2.16010100   -0.75120200
 C                  2.17846100   -0.02706700   -2.30844000
 C                  1.50418600   -0.37003900   -1.08282600
 C                  2.01185400   -1.39462600   -0.30324200
 C                  2.10022100   -1.27448400    1.16775000
 C                  3.30644400   -1.94464200    1.59031200
 C                  4.08985400   -1.42946800    2.63808400
 C                  5.53510900   -1.42776200    2.52542700
 C                  6.03206100   -0.18806600    3.10629400
 C                  7.12109400    0.46526100    2.52828900
 C                  7.56056500    1.97516200   -1.70362900
 C                  7.75096400    2.24694800    1.12860200
 C                  5.22623700   -1.86794600   -2.06807300
 C                 -0.95549400   -2.70228900    1.03043600
 N                 -0.21798200   -3.57672000    1.23292500
 K                  1.85339400   -5.48461400    1.68113100
 N                 -0.50776800   -7.14045500    2.29400300
 K                 -2.92939900   -5.72840300    1.54459100
 C                 -0.44926900   -7.96788500    1.45478700
 C                 -2.47891300   -5.72650100   -1.31778800
 K                 -0.04800300   -8.03470100   -1.45962900
 K                  0.11118900   -3.60101000   -2.61886100
 N                 -1.77204100   -5.69088000   -2.26062600
 C                  2.10044900   -5.53923500   -1.81873400
 N                  2.33999900   -6.34782400   -0.99440700

63 108 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


