%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                 -3.69531200    4.47373000    0.33088600
 C                 -2.90992000    4.07486700   -0.82539600
 C                 -3.54588800    3.79081100   -2.03987500
 C                 -4.99274700    3.87087500   -2.13716300
 C                 -5.74588200    4.24527800   -1.02262100
 C                 -5.08464100    4.55892600    0.23396500
 C                 -3.07814600    3.91103800    1.51861300
 C                 -1.91180300    3.16331800    1.10812200
 C                 -1.80827700    3.25942400   -0.36638100
 C                 -1.37343200    2.18821900   -1.11907000
 C                 -3.10724400    2.65719300   -2.81631900
 C                 -5.44731500    2.78202700   -2.98857200
 C                 -6.63687200    2.11208700   -2.68799500
 C                 -7.42327100    2.50710800   -1.53318800
 C                 -6.98264400    3.55054700   -0.71356800
 C                 -7.09459900    3.44497600    0.73090000
 C                 -5.92049400    4.06689200    1.31851800
 C                 -5.33135300    3.51855700    2.45841000
 C                 -3.88698500    3.44583700    2.56754100
 C                 -1.60928300    1.97087500    1.73587500
 C                 -2.44248200    1.47972700    2.79907900
 C                 -3.55817500    2.19995200    3.22236200
 C                 -4.79542100    1.50199800    3.54564600
 C                 -5.89018600    2.31095200    3.05962600
 C                 -7.02426900    1.71511800    2.49544800
 C                 -7.62831300    2.28854200    1.30570400
 C                 -8.07652700    1.19898200    0.45478400
 C                 -7.97812600    1.30599700   -0.93502900
 C                 -4.27996300    2.02790400   -3.40447600
 C                 -6.04238200   -1.78245700   -1.50790500
 C                 -5.24676400   -1.30649000   -2.55283700
 C                 -3.80020000   -1.37277000   -2.44451400
 C                 -3.19997400   -1.90195800   -1.29564100
 C                 -4.02943000   -2.39522400   -0.20913500
 C                 -6.21071600   -1.96255700    0.82484900
 C                 -7.31822000   -1.14577700    0.35900800
 C                 -7.21332700   -1.03525100   -1.08914000
 C                 -7.53764200    0.16712500   -1.72240200
 C                 -6.70965200    0.66550900   -2.80711600
 C                 -5.58511000   -0.05813500   -3.21335800
 C                 -3.24740500   -0.17999000   -3.03870700
 C                 -2.12543000    0.41886600   -2.45467300
 C                 -1.48705800   -0.16403100   -1.30266400
 C                 -2.00865100   -1.30952800   -0.74860300
 C                 -3.37661400   -2.13811600    1.03818600
 C                 -4.12344300   -1.72378400    2.13426100
 C                 -5.56836700   -1.64589100    2.02747900
 C                 -7.73812700   -0.05012700    1.11327800
 C                 -7.08039900    0.27097500    2.37130500
 C                 -6.01394100   -0.51398900    2.81718900
 C                 -4.83861600    0.10725900    3.40899500
 C                 -3.67008100   -0.65828900    3.02585700
 C                 -2.50463800    0.02949200    2.65020000
 C                 -1.65903800   -0.34698800    1.56559300
 C                 -1.04237600    0.80824900    1.01269900
 C                 -0.75386600    0.91576500   -0.50685700
 C                 -4.34689500    0.63882900   -3.52073500
 C                 -2.05396300    1.86540400   -2.33908000
 C                 -5.42806000   -2.35571100   -0.32221000
 C                 -1.93061200   -1.61624400    0.76919600
 C                  4.04845400    3.74019800    2.13364100
 C                  5.48943200    3.71691700    2.01773400
 C                  6.08596800    3.98393900    0.79136100
 C                  5.29842200    4.35469200   -0.35808400
 C                  3.90978600    4.36328600   -0.25758500
 C                  3.26289400    4.03799400    1.00759800
 C                  3.66608600    2.64922300    3.00154300
 C                  4.87659600    1.96288900    3.44073800
 C                  6.00989100    2.63175900    2.83053100
 C                  7.11457500    1.89881100    2.39046600
 C                  7.25073500    3.26320500    0.34604800
 C                  5.96032600    3.82032900   -1.53639900
 C                  5.19507800    3.29596400   -2.57632300
 C                  3.74490500    3.29608800   -2.47593300
 C                  3.11449500    3.81633000   -1.33596400
 C                  1.97657400    3.14461400   -0.74595700
 C                  2.05824300    3.29826100    0.72285100
 C                  1.69683200    2.23100000    1.54662400
 C                  2.51989100    1.91227900    2.70516700
 C                  4.88997500    0.57554800    3.58108600
 C                  3.68880700   -0.18971200    3.28725100
 C                  2.53591800    0.47302500    2.84982600
 C                  1.72883100   -0.06679200    1.77454700
 C                  1.07174400    1.01300300    1.04511300
 C                  0.81633500    0.88412200   -0.49139800
 C                  1.49578000    1.98500500   -1.31574600
 C                  2.16874300    1.42227700   -2.45459900
 C                  3.26032200    2.06686300   -3.05170400
 C                  7.16785300    3.14249500   -1.10061900
 C                  5.62663800   -0.77607300   -2.93771100
 C                  6.77959500   -0.04519200   -2.64769700
 C                  7.58034300   -0.37979900   -1.48004000
 C                  7.20191200   -1.43472400   -0.64395500
 C                  6.00188900   -2.18807100   -0.93934700
 C                  3.78860500   -1.83795600   -1.95718200
 C                  3.27904300   -0.76196200   -2.76793800
 C                  4.41885700   -0.09182500   -3.37787300
 C                  4.40896400    1.29425800   -3.51175100
 C                  5.60912300    2.05660400   -3.21555300
 C                  6.76996700    1.40107500   -2.79181500
 C                  8.07241300    0.85739400   -0.90328000
 C                  8.16362800    0.98848500    0.48652400
 C                  7.77475900   -0.10775000    1.35742100
 C                  7.30015400   -1.29667000    0.80467800
 C                  6.16598500   -1.97286800    1.40783000
 C                  5.35915800   -2.51133000    0.32830300
 C                  3.97026200   -2.46858900    0.42638400
 C                  3.19381000   -2.07985300   -0.72315400
 C                  2.17834700   -0.02322900   -2.30908800
 C                  1.50440500   -0.35678500   -1.07822900
 C                  2.02594200   -1.36136200   -0.28726100
 C                  2.09974900   -1.26428100    1.18381200
 C                  3.30654500   -1.93590300    1.60744700
 C                  4.09033900   -1.42838100    2.65498800
 C                  5.53746600   -1.43148600    2.53733500
 C                  6.03488300   -0.19298800    3.11611000
 C                  7.12663200    0.45408900    2.53385200
 C                  7.56886600    1.95640200   -1.71336300
 C                  7.75399400    2.22447800    1.12601000
 C                  5.23271000   -1.86669600   -2.06185800
 C                 -0.95461800   -2.69268100    1.03263100
 N                 -0.21265100   -3.56301100    1.23602800
 K                  1.87421900   -5.45454400    1.66922700
 N                 -0.47621900   -7.13792300    2.26664000
 K                 -2.90906000   -5.72924000    1.54032500
 C                 -0.41523600   -7.97093700    1.43315800
 C                 -2.45589800   -5.71000400   -1.32252900
 K                 -0.00442100   -8.01142000   -1.47852000
 K                  0.11551500   -3.57739000   -2.61871400
 N                 -1.73974900   -5.69185800   -2.25880700
 C                  2.13158500   -5.49034900   -1.83674500
 N                  2.35184800   -6.29761500   -1.00587100

63 108 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


