%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                 -3.93941400    4.17374600    1.79110400
 C                 -3.20205200    4.42742100    0.56465300
 C                 -3.89702200    4.60874000   -0.63656400
 C                 -5.34735600    4.52646300   -0.65948200
 C                 -6.05052800    4.27893700    0.52084700
 C                 -5.33216200    4.10603100    1.77312000
 C                 -3.17380700    3.24010700    2.59756800
 C                 -1.96189700    2.91171600    1.88317400
 C                 -1.97615900    3.65522000    0.59905300
 C                 -1.47050600    3.09685700   -0.56031800
 C                 -3.39501100    3.99457300   -1.84243400
 C                 -5.74107100    3.85867600   -1.88998500
 C                 -6.82094600    2.97140600   -1.88786500
 C                 -7.55432100    2.72078000   -0.65985800
 C                 -7.17439000    3.36146100    0.52157900
 C                 -7.15855100    2.62765700    1.77816800
 C                 -6.02240900    3.08841300    2.55215300
 C                 -5.28983700    2.18697600    3.32645100
 C                 -3.84166900    2.26750400    3.35636300
 C                 -1.47011400    1.62326500    1.93644900
 C                 -2.17494500    0.61254800    2.66848700
 C                 -3.32818500    0.91917500    3.39529600
 C                 -4.45011800   -0.00957800    3.41131600
 C                 -5.66355900    0.77818400    3.35388000
 C                 -6.76203400    0.33521800    2.60936200
 C                 -7.51544600    1.27687400    1.80234200
 C                 -7.90282400    0.60850900    0.56999500
 C                 -7.92256300    1.31455800   -0.63392500
 C                 -4.53245800    3.52619100   -2.62207500
 C                 -5.69503600   -0.93090800   -2.53392900
 C                 -5.04299600    0.05038600   -3.28353500
 C                 -3.59419800    0.14283100   -3.24577400
 C                 -2.85176900   -0.74016100   -2.45137900
 C                 -3.53317900   -1.75718700   -1.67106300
 C                 -5.66718700   -2.12390300   -0.50663900
 C                 -6.88901900   -1.34089600   -0.55109900
 C                 -6.90670300   -0.60412000   -1.80703000
 C                 -7.41649300    0.69641600   -1.84758500
 C                 -6.73720400    1.71984200   -2.62328100
 C                 -5.57464600    1.40295800   -3.32970800
 C                 -3.23275400    1.53848800   -3.27661700
 C                 -2.15067400    1.97656400   -2.50808700
 C                 -1.38096300    1.05073000   -1.72586500
 C                 -1.71526900   -0.27990300   -1.69739000
 C                 -2.81181400   -1.95455200   -0.43597700
 C                 -3.52901200   -2.19750100    0.73781300
 C                 -4.97980000   -2.27874900    0.69970600
 C                 -7.37870000   -0.74568500    0.61278000
 C                 -6.66882700   -0.91240800    1.87069400
 C                 -5.49449100   -1.66791300    1.91275700
 C                 -4.35534100   -1.20736000    2.69316400
 C                 -3.14356200   -1.56878700    1.98355200
 C                 -2.08844600   -0.63604800    1.91532300
 C                 -1.29764200   -0.43152000    0.75910500
 C                 -0.71385100    0.97989700    0.79788400
 C                 -0.70822000    1.77615500   -0.57533300
 C                 -4.45242600    2.32684800   -3.32944500
 C                 -2.22303100    3.23231100   -1.78291400
 C                 -4.92773500   -1.86853500   -1.72741600
 C                 -1.55508400   -1.14435400   -0.45951800
 C                 -0.16010800   -2.36458000   -0.97690600
 C                  4.05791500    2.17338900    3.31602500
 C                  5.49977000    2.00868100    3.28190000
 C                  6.26725300    2.83272100    2.46149400
 C                  5.62839000    3.85660600    1.64618600
 C                  4.24532500    4.00773000    1.66975600
 C                  3.43903900    3.14799100    2.51851200
 C                  3.47085500    0.85894700    3.41594500
 C                  4.54181700   -0.12875400    3.44668900
 C                  5.80058000    0.58499800    3.35941600
 C                  6.85980400    0.04499900    2.62201400
 C                  7.35173100    2.26367000    1.69021300
 C                  6.33045100    3.92415900    0.37723700
 C                  5.64802800    4.17919800   -0.80987900
 C                  4.20901000    4.35257800   -0.78165700
 C                  3.51790400    4.25491100    0.43475800
 C                  2.25436800    3.55511800    0.50653300
 C                  2.20597900    2.85957000    1.81980000
 C                  1.63397300    1.61044400    1.93589900
 C                  2.29120200    0.59064900    2.71501600
 C                  4.38899600   -1.35303900    2.79050200
 C                  3.15706200   -1.64606100    2.08146200
 C                  2.14197100   -0.68105000    2.02840200
 C                  1.39433400   -0.45038200    0.82753400
 C                  0.84854500    0.96735000    0.81509900
 C                  0.88063800    1.71946500   -0.58787400
 C                  1.71759400    2.98406600   -0.63098800
 C                  2.45759800    3.03404400   -1.86852200
 C                  3.66855800    3.72388400   -1.96372400
 C                  7.35680400    2.91440400    0.39912000
 C                  5.69186000    0.94977600   -3.36159900
 C                  6.87438700    1.22305200   -2.67382400
 C                  7.50273000    0.19181300   -1.86039500
 C                  6.92488300   -1.07497000   -1.76370500
 C                  5.69355300   -1.35871300   -2.47493600
 C                  3.64722900   -0.18975100   -3.22360000
 C                  3.36038800    1.22317800   -3.30466400
 C                  4.62237600    1.93633900   -3.38924000
 C                  4.77187300    3.15826400   -2.73168400
 C                  5.99960200    3.44308700   -2.01556600
 C                  7.02551100    2.49398300   -1.98749400
 C                  8.04333900    0.82363800   -0.67099000
 C                  7.99928500    0.17113100    0.56308700
 C                  7.40585300   -1.14871500    0.66438200
 C                  6.87558200   -1.75810400   -0.47557000
 C                  5.61514600   -2.46842600   -0.39079900
 C                  4.88322500   -2.21627800   -1.62247000
 C                  3.50259900   -2.02267900   -1.57318800
 C                  2.87146000   -0.99632400   -2.38534100
 C                  2.30785400    1.75803200   -2.54941400
 C                  1.49498900    0.91549700   -1.72458400
 C                  1.79028400   -0.42324000   -1.62604600
 C                  1.71807800   -1.13509900   -0.32879800
 C                  2.80304800   -2.09570300   -0.30756200
 C                  3.49720700   -2.36847000    0.87100400
 C                  4.93502000   -2.54422700    0.83075800
 C                  5.48954000   -1.91366100    2.01926100
 C                  6.70052700   -1.22707300    1.93509200
 C                  7.73718900    2.23871400   -0.75184400
 C                  7.65645500    0.90591400    1.77054000
 C                  5.08808000   -0.36909200   -3.25746600
 N                 -0.04202100   -3.48970800   -1.30820900
 K                  2.08424600   -5.39807400   -1.70202500
 N                  1.79370400   -5.94052200    1.12352400
 C                  0.18058800   -7.24580600   -2.94626000
 K                 -0.05593300   -4.00360200    2.11434700
 C                  1.47255900   -7.07293500    1.20145700
 N                 -0.85645900   -7.47235000   -2.43090700
 C                 -2.36826300   -5.67218800    1.63347500
 K                 -0.92013800   -8.50109600    0.26886500
 K                 -2.48763800   -5.17923000   -1.82133600
 N                 -2.79884000   -6.35612400    0.77471800

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


