%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                 -3.68421300    4.08857600    1.82986700
 C                 -2.95810900    4.32003100    0.58891700
 C                 -3.64986800    4.58642000   -0.60335300
 C                 -5.09801100    4.59629500   -0.60536200
 C                 -5.77325300    4.33496100    0.58175700
 C                 -5.07345700    4.10948000    1.83108100
 C                 -2.98454400    3.07742400    2.60284900
 C                 -1.81748300    2.67923400    1.85274400
 C                 -1.80105400    3.45516100    0.58350100
 C                 -1.37323200    2.89080200   -0.60146500
 C                 -3.22216000    3.97255400   -1.83799300
 C                 -5.56972900    3.99774700   -1.84616600
 C                 -6.70797200    3.18359300   -1.85074600
 C                 -7.41471900    2.93077400   -0.61546300
 C                 -6.89000300    3.43581100    0.55939500
 C                 -6.98102600    2.74200300    1.81436800
 C                 -5.82705200    3.12398100    2.59751800
 C                 -5.16401600    2.15796600    3.34706300
 C                 -3.71300800    2.13578500    3.35225700
 C                 -1.42420100    1.35919200    1.87022700
 C                 -2.18826100    0.38459000    2.59794400
 C                 -3.30714700    0.75191600    3.34854600
 C                 -4.49916500   -0.09278100    3.36121400
 C                 -5.64987700    0.77940800    3.34046400
 C                 -6.79452100    0.43080600    2.60529800
 C                 -7.47343800    1.44029800    1.82251600
 C                 -7.93701300    0.84351600    0.57785700
 C                 -7.91655500    1.57411100   -0.61424700
 C                 -4.40524700    3.60670900   -2.61096700
 C                 -5.91869500   -0.76162000   -2.61593700
 C                 -5.20106600    0.19132600   -3.35304300
 C                 -3.74899000    0.18422300   -3.34103200
 C                 -3.07511000   -0.75955100   -2.56543100
 C                 -3.82534000   -1.73639000   -1.79656700
 C                 -5.94926000   -2.00769200   -0.60750300
 C                 -7.10815500   -1.13880600   -0.61288900
 C                 -7.09006200   -0.37134400   -1.85585700
 C                 -7.49411800    0.96315500   -1.85924400
 C                 -6.74855300    1.95736100   -2.62399400
 C                 -5.62332800    1.58126800   -3.35792800
 C                 -3.27414800    1.54974600   -3.34235500
 C                 -2.14445400    1.89192900   -2.58621800
 C                 -1.43307200    0.89581700   -1.83377900
 C                 -1.91294700   -0.38240000   -1.81068900
 C                 -3.13332700   -1.97431000   -0.56602600
 C                 -3.81254000   -2.24524900    0.60985800
 C                 -5.26077400   -2.24131700    0.59173700
 C                 -7.52692500   -0.54509800    0.58139000
 C                 -6.81493400   -0.79716800    1.83004100
 C                 -5.69917300   -1.63308300    1.83383500
 C                 -4.51187500   -1.27160000    2.60456600
 C                 -3.34343400   -1.69339500    1.86533500
 C                 -2.22219300   -0.83734700    1.80366300
 C                 -1.44137300   -0.64203300    0.63764400
 C                 -0.72758600    0.69709100    0.69829000
 C                 -0.70163800    1.52926900   -0.66098300
 C                 -4.43272100    2.42299200   -3.35161600
 C                 -2.11398300    3.12299800   -1.81687000
 C                 -5.21942700   -1.77243000   -1.84036600
 C                 -1.85819000   -1.22782400   -0.58148000
 C                 -0.75443500   -2.67575800   -1.20418500
 C                  3.94496900    2.08619800    3.30285600
 C                  5.39601200    2.03629100    3.29802100
 C                  6.12332200    2.93611300    2.51629000
 C                  5.42725400    3.92404500    1.70691100
 C                  4.03324800    3.96071700    1.70096200
 C                  3.27300100    3.02441100    2.51039700
 C                  3.45086600    0.73120900    3.36542100
 C                  4.59325400   -0.17103500    3.40100500
 C                  5.79818900    0.63969200    3.35887200
 C                  6.90870000    0.20108500    2.63463000
 C                  7.27866300    2.48079900    1.76778300
 C                  6.16233100    4.08765600    0.46246800
 C                  5.47300800    4.29642100   -0.73362000
 C                  4.02210500    4.34997600   -0.73576500
 C                  3.31280800    4.17654600    0.45871700
 C                  2.10526600    3.37991700    0.48802600
 C                  2.07911000    2.65390100    1.78070700
 C                  1.59202600    1.36504700    1.85977900
 C                  2.30729600    0.38604200    2.63661200
 C                  4.54602400   -1.38846800    2.72216700
 C                  3.35274400   -1.75775700    1.97543200
 C                  2.26029500   -0.88187500    1.92646900
 C                  1.51740400   -0.68605400    0.70918500
 C                  0.85699100    0.68229500    0.71688100
 C                  0.88140100    1.47010200   -0.67149700
 C                  1.64455700    2.78345800   -0.66674200
 C                  2.39504700    2.91986400   -1.88580400
 C                  3.55214700    3.70399500   -1.93815000
 C                  7.30313700    3.19308800    0.49789400
 C                  5.79913200    1.12878200   -3.33942500
 C                  6.94322700    1.47993200   -2.62017100
 C                  7.62905800    0.48530700   -1.81377000
 C                  7.14305700   -0.82266000   -1.75619700
 C                  5.95242700   -1.18712400   -2.49924200
 C                  3.84024200   -0.16940400   -3.27385300
 C                  3.45174800    1.21952700   -3.33355200
 C                  4.65949800    2.02960600   -3.37454800
 C                  4.70856400    3.24423200   -2.69161900
 C                  5.89905400    3.61195800   -1.94447800
 C                  6.99495700    2.74769200   -1.90902000
 C                  8.10468900    1.13643900   -0.60472500
 C                  8.08154700    0.45428200    0.61233600
 C                  7.58166100   -0.90900100    0.67365900
 C                  7.11875500   -1.53453700   -0.48593700
 C                  5.91336500   -2.33956500   -0.44365000
 C                  5.18709000   -2.11976500   -1.68584000
 C                  3.79366000   -2.04721600   -1.67296400
 C                  3.10140700   -1.05480300   -2.47957500
 C                  2.34335700    1.65329600   -2.59679900
 C                  1.56070200    0.73212900   -1.81816800
 C                  1.94665500   -0.59022200   -1.74100300
 C                  1.92713600   -1.31356500   -0.44707100
 C                  3.06747800   -2.20378100   -0.42342200
 C                  3.76681200   -2.43437500    0.76774400
 C                  5.21704000   -2.49532000    0.75778600
 C                  5.70068800   -1.84633800    1.96722300
 C                  6.85779500   -1.06643800    1.92323800
 C                  7.71170000    2.53462600   -0.66385800
 C                  7.66432100    1.13994000    1.82400500
 C                  5.29154300   -0.23305200   -3.27669400
 N                 -0.44285000   -3.80437400   -1.08456000
 K                  1.82912000   -5.47845500   -1.66256900
 N                  1.86578700   -5.86145700    1.20141800
 C                 -0.10701200   -7.49071300   -2.54906300
 K                 -0.07786300   -3.94396200    2.06105200
 C                  1.58737300   -6.98970200    1.40482900
 N                 -1.08866600   -7.76784700   -1.95612800
 C                 -2.34642700   -5.76101900    2.10676000
 K                 -0.81645000   -8.57246700    0.81294000
 K                 -2.86149700   -5.57949000   -1.34662600
 N                 -2.82197800   -6.52736900    1.34664700

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83





