%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                 -3.70061100    4.47564800    0.33221900
 C                 -2.91494800    4.07752900   -0.82411600
 C                 -3.55074100    3.79323400   -2.03861400
 C                 -4.99766800    3.87229800   -2.13589700
 C                 -5.75105500    4.24599800   -1.02129100
 C                 -5.09001200    4.55990600    0.23533100
 C                 -3.08302100    3.91323500    1.51984400
 C                 -1.91614400    3.16638500    1.10922900
 C                 -1.81269300    3.26278000   -0.36522800
 C                 -1.37705500    2.19203100   -1.11809000
 C                 -3.11132000    2.66002700   -2.81523600
 C                 -5.45148300    2.78328000   -2.98747100
 C                 -6.64057700    2.11245900   -2.68697300
 C                 -7.42725000    2.50676000   -1.53212200
 C                 -6.98733500    3.55036500   -0.71233500
 C                 -7.09922700    3.44450600    0.73211000
 C                 -5.92552000    4.06710600    1.31980300
 C                 -5.33598500    3.51897600    2.45959300
 C                 -3.89157000    3.44726800    2.56868900
 C                 -1.61285900    1.97404500    1.73678400
 C                 -2.44579000    1.48211800    2.79981000
 C                 -3.56192300    2.20148000    3.22329300
 C                 -4.79871600    1.50261800    3.54658400
 C                 -5.89399800    2.31087900    3.06065600
 C                 -7.02775600    1.71439900    2.49641400
 C                 -7.63213600    2.28760400    1.30673800
 C                 -8.07961300    1.19786800    0.45564100
 C                 -7.98128200    1.30517000   -0.93414600
 C                 -4.28361900    2.03001700   -3.40347600
 C                 -6.04345000   -1.78189700   -1.50749000
 C                 -5.24817200   -1.30521700   -2.55239200
 C                 -3.80156500   -1.37046400   -2.44402600
 C                 -3.20096900   -1.89943600   -1.29523400
 C                 -4.03007800   -2.39352800   -0.20876100
 C                 -6.21169000   -1.96250400    0.82525100
 C                 -7.31972900   -1.14636400    0.35952400
 C                 -7.21490700   -1.03553400   -1.08861200
 C                 -7.54001600    0.16672400   -1.72168900
 C                 -6.71237800    0.66585000   -2.80633200
 C                 -5.58735500   -0.05697200   -3.21269700
 C                 -3.24956100   -0.17719900   -3.03804900
 C                 -2.12800300    0.42235600   -2.45390000
 C                 -1.48932100   -0.16024100   -1.30193100
 C                 -2.01008700   -1.30617800   -0.74808700
 C                 -3.37736700   -2.13627100    1.03862300
 C                 -4.12453800   -1.72251900    2.13476400
 C                 -5.56956000   -1.64560100    2.02793800
 C                 -7.74037900   -0.05111400    1.11395300
 C                 -7.08288500    0.27024200    2.37203300
 C                 -6.01590500   -0.51411500    2.81780200
 C                 -4.84095000    0.10781700    3.40969400
 C                 -3.67193100   -0.65699000    3.02659200
 C                 -2.50701700    0.03182700    2.65065100
 C                 -1.66136100   -0.34379000    1.56615600
 C                 -1.04510100    0.81198200    1.01351100
 C                 -0.75671300    0.91986600   -0.50605400
 C                 -4.34961100    0.64090400   -3.51999100
 C                 -2.05748600    1.86891100   -2.33810300
 C                 -5.42876300   -2.35494600   -0.32187600
 C                 -1.93184400   -1.61303500    0.76958900
 C                  4.04652300    3.73572900    2.12993700
 C                  5.48540400    3.70175300    2.01098700
 C                  6.07025500    3.94060200    0.77752100
 C                  5.29528500    4.33457800   -0.36703200
 C                  3.90846400    4.35611500   -0.26465800
 C                  3.26271500    4.03446500    1.00246500
 C                  3.66464900    2.65028500    3.00348500
 C                  4.87594900    1.96273100    3.44425500
 C                  6.00946300    2.62511100    2.82951700
 C                  7.11573700    1.89278900    2.39056800
 C                  7.24582200    3.24286100    0.33881700
 C                  5.96216800    3.80878400   -1.54492300
 C                  5.19706500    3.28828900   -2.58510800
 C                  3.74597300    3.29143600   -2.48289900
 C                  3.11315400    3.81357000   -1.34373000
 C                  1.97446900    3.14506600   -0.75111200
 C                  2.05702300    3.29820100    0.71894800
 C                  1.69533000    2.23381800    1.54686200
 C                  2.51741700    1.91581000    2.70782500
 C                  4.88989900    0.57619500    3.58710400
 C                  3.68704400   -0.18661200    3.29510200
 C                  2.53346800    0.47723700    2.85653100
 C                  1.72524900   -0.06164900    1.78174900
 C                  1.06899200    1.01676600    1.04740400
 C                  0.81326400    0.88829600   -0.49160100
 C                  1.49296300    1.98643400   -1.32010300
 C                  2.16725100    1.42191000   -2.45874400
 C                  3.26101100    2.06251200   -3.05731500
 C                  7.16949000    3.13005700   -1.10766600
 C                  5.62900700   -0.78240100   -2.93867200
 C                  6.78309300   -0.05422400   -2.64913400
 C                  7.58298400   -0.38866200   -1.47921200
 C                  7.20448100   -1.44117100   -0.63932200
 C                  6.00294600   -2.19047400   -0.93326700
 C                  3.79365900   -1.82690100   -1.94856300
 C                  3.28024300   -0.76011200   -2.76631600
 C                  4.42062500   -0.09683300   -3.38081200
 C                  4.41033900    1.28841700   -3.51732700
 C                  5.61212800    2.04814400   -3.22212900
 C                  6.77340100    1.39142300   -2.79676500
 C                  8.07592800    0.84785200   -0.90390400
 C                  8.16807300    0.97872500    0.48702200
 C                  7.77852400   -0.11447400    1.36164400
 C                  7.30337600   -1.30292400    0.81038100
 C                  6.16825000   -1.97546100    1.41637200
 C                  5.36124100   -2.50972100    0.33628700
 C                  3.97447000   -2.45293000    0.43641400
 C                  3.21127600   -2.03957000   -0.70768300
 C                  2.17811700   -0.02195700   -2.30909800
 C                  1.50409300   -0.35004800   -1.07567400
 C                  2.03282800   -1.34357700   -0.27834900
 C                  2.09906100   -1.25718600    1.19244800
 C                  3.30566600   -1.92975000    1.61727600
 C                  4.08944200   -1.42596900    2.66488200
 C                  5.53758500   -1.43199000    2.54507700
 C                  6.03535400   -0.19378600    3.12208300
 C                  7.12869200    0.44960600    2.53748700
 C                  7.57324300    1.94545900   -1.71834200
 C                  7.75535800    2.21345200    1.12455300
 C                  5.23537800   -1.86720700   -2.05688500
 C                 -0.95434200   -2.68805500    1.03303200
 N                 -0.21049500   -3.55672600    1.23654700
 K                  1.88109100   -5.44169100    1.66368300
 N                 -0.46142900   -7.14108500    2.24955200
 K                 -2.89710100   -5.73180400    1.53516200
 C                 -0.39839500   -7.97692000    1.41904100
 C                 -2.43896900   -5.70852800   -1.32644400
 K                  0.02270300   -8.00575900   -1.49091600
 K                  0.11928100   -3.56629000   -2.62128500
 N                 -1.71842900   -5.69474800   -2.25942700
 C                  2.14955300   -5.46977000   -1.84875400
 N                  2.36000200   -6.27450500   -1.01287000

63 108 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


