%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                 -3.69838500    4.08554000    1.84312300
 C                 -2.97074000    4.32163400    0.60768200
 C                 -3.67311500    4.59529200   -0.57168500
 C                 -5.12538100    4.62658000   -0.56366500
 C                 -5.82058800    4.39556700    0.62508000
 C                 -5.09223800    4.12595100    1.85466800
 C                 -2.99118900    3.06809500    2.60083600
 C                 -1.82553100    2.66897000    1.84743500
 C                 -1.81149900    3.45435800    0.58968000
 C                 -1.38600600    2.89030900   -0.59610800
 C                 -3.24625000    3.98305600   -1.80717200
 C                 -5.59519100    4.03273100   -1.80548100
 C                 -6.73972800    3.23093900   -1.80534500
 C                 -7.46574200    2.99816600   -0.56946600
 C                 -7.01180000    3.56706600    0.62298700
 C                 -7.02823200    2.79369100    1.85532600
 C                 -5.84305200    3.13853700    2.61650200
 C                 -5.16686100    2.15807900    3.34474600
 C                 -3.71646800    2.12478400    3.34312500
 C                 -1.43456400    1.34559500    1.84671500
 C                 -2.19657100    0.37004900    2.56537500
 C                 -3.30837700    0.74078400    3.32639400
 C                 -4.49953900   -0.09849300    3.34350600
 C                 -5.64818700    0.78160900    3.33651900
 C                 -6.79485400    0.45063700    2.60541700
 C                 -7.48803600    1.47411400    1.84531000
 C                 -7.95171100    0.87953200    0.60164700
 C                 -7.94081900    1.62446000   -0.57890800
 C                 -4.43145600    3.63153600   -2.57513400
 C                 -5.93499100   -0.72240500   -2.59972200
 C                 -5.22340500    0.22934700   -3.33345300
 C                 -3.77118800    0.20757700   -3.32656600
 C                 -3.08206900   -0.75499500   -2.57868100
 C                 -3.82770600   -1.73989500   -1.81386900
 C                 -5.95805100   -1.97865300   -0.61245500
 C                 -7.11643800   -1.10382600   -0.60359300
 C                 -7.10191300   -0.32668400   -1.83470300
 C                 -7.50912600    1.00942400   -1.82272200
 C                 -6.76872900    2.00224000   -2.58198200
 C                 -5.64815800    1.61930700   -3.32354400
 C                 -3.30119000    1.57140300   -3.32150100
 C                 -2.16975900    1.89732500   -2.56849500
 C                 -1.44609500    0.88848700   -1.83901400
 C                 -1.89151000   -0.41047700   -1.84170300
 C                 -3.10361600   -2.02896700   -0.60243300
 C                 -3.80806900   -2.25531900    0.58161000
 C                 -5.26161800   -2.22589700    0.57351300
 C                 -7.53397400   -0.51185300    0.58980300
 C                 -6.81386800   -0.77433400    1.82573700
 C                 -5.70021200   -1.61831600    1.81629700
 C                 -4.51057000   -1.27287500    2.58203000
 C                 -3.34456600   -1.70688900    1.83724700
 C                 -2.22098400   -0.85362600    1.76619100
 C                 -1.43227700   -0.67332100    0.60435700
 C                 -0.73477300    0.68256300    0.67581000
 C                 -0.71080100    1.52574600   -0.67161000
 C                 -4.45723800    2.45284700   -3.32059500
 C                 -2.13850300    3.12775800   -1.79880300
 C                 -5.22766200   -1.74292500   -1.84230200
 C                 -1.78620900   -1.31730300   -0.63117200
 C                 -0.56244200   -2.70431000   -1.16146100
 C                  3.92941300    2.06451400    3.29908200
 C                  5.38030500    2.01217300    3.29628200
 C                  6.10913100    2.91394800    2.51883900
 C                  5.41549400    3.90641200    1.71244200
 C                  4.02198400    3.94589600    1.70449100
 C                  3.25971700    3.00705900    2.50913500
 C                  3.43421600    0.70973400    3.35513600
 C                  4.57534000   -0.19447400    3.38868300
 C                  5.78113800    0.61464700    3.35149500
 C                  6.89239000    0.17706400    2.62717300
 C                  7.26312700    2.45846900    1.76906200
 C                  6.15107300    4.07233100    0.46892200
 C                  5.46576200    4.28904900   -0.72761100
 C                  4.01532000    4.34567800   -0.73174700
 C                  3.30430800    4.16799700    0.46143600
 C                  2.09592100    3.37293600    0.48548900
 C                  2.06685500    2.64158500    1.77558400
 C                  1.57886400    1.35288200    1.84848700
 C                  2.29154400    0.36953100    2.62277400
 C                  4.52803900   -1.40911200    2.70430500
 C                  3.33579400   -1.77347800    1.95447500
 C                  2.24556600   -0.89493700    1.90701900
 C                  1.50664500   -0.69197000    0.68912600
 C                  0.84760300    0.67615200    0.70052300
 C                  0.87263600    1.47026300   -0.68402300
 C                  1.63608400    2.78292700   -0.67317100
 C                  2.38880700    2.92320200   -1.89070500
 C                  3.54697100    3.70569500   -1.93795700
 C                  7.28540900    3.17174500    0.50117100
 C                  5.79365500    1.13246900   -3.34667300
 C                  6.93699400    1.47859600   -2.62413700
 C                  7.62042900    0.47945800   -1.82071100
 C                  7.13316400   -0.82815800   -1.76926200
 C                  5.94337100   -1.18749700   -2.51603200
 C                  3.83344600   -0.16268900   -3.28949600
 C                  3.44646400    1.22692600   -3.34392200
 C                  4.65519900    2.03526000   -3.37962700
 C                  4.70415900    3.24700300   -2.69142000
 C                  5.89358100    3.60934800   -1.94063600
 C                  6.98794200    2.74289100   -1.90732200
 C                  8.09376500    1.12420000   -0.60770100
 C                  8.06822000    0.43733000    0.60679000
 C                  7.56721900   -0.92542700    0.66173600
 C                  7.10595200   -1.54525600   -0.50169000
 C                  5.89948700   -2.34868100   -0.46462200
 C                  5.17590200   -2.12260900   -1.70738000
 C                  3.78272800   -2.04651400   -1.69598900
 C                  3.09289800   -1.04993100   -2.49946000
 C                  2.33724200    1.65964200   -2.60726600
 C                  1.55303500    0.73670500   -1.83306300
 C                  1.93947000   -0.58547300   -1.75979000
 C                  1.91847800   -1.31287000   -0.46896400
 C                  3.05582000   -2.20588000   -0.44782500
 C                  3.75161500   -2.44428200    0.74359800
 C                  5.20129200   -2.50832500    0.73560000
 C                  5.68341800   -1.86556900    1.94904100
 C                  6.84140300   -1.08720600    1.91001900
 C                  7.70087800    2.52218600   -0.66186800
 C                  7.64938500    1.11794600    1.82085900
 C                  5.28468500   -0.22899100   -3.29035100
 N                 -0.22005700   -3.82563400   -1.07903000
 K                  2.06077100   -5.53113900   -1.50623800
 N                  1.92554300   -5.86331800    1.35841600
 C                  0.13986600   -7.51657000   -2.46842500
 K                 -0.07364600   -3.95755700    2.11837600
 C                  1.59761000   -6.98440600    1.52381700
 N                 -0.89973900   -7.80439500   -1.99073500
 C                 -2.33166700   -5.77583700    1.95279700
 K                 -0.75336700   -8.60254100    0.79845400
 K                 -2.67877000   -5.59314800   -1.46990800
 N                 -2.79455600   -6.57176700    1.21580700

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


