%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                 -3.66753600    4.08532700    1.83065600
 C                 -2.94276000    4.31321800    0.58962600
 C                 -3.63951600    4.58577900   -0.59646900
 C                 -5.08891000    4.61220000   -0.59115400
 C                 -5.77003000    4.36728400    0.59851400
 C                 -5.05812600    4.12177800    1.83907500
 C                 -2.96941900    3.06807500    2.59698400
 C                 -1.80764600    2.66202300    1.84274500
 C                 -1.79052200    3.44031700    0.57721900
 C                 -1.37082800    2.87223300   -0.60868600
 C                 -3.21901900    3.96922400   -1.83210700
 C                 -5.56671300    4.01784200   -1.83089000
 C                 -6.71196900    3.21500100   -1.83024900
 C                 -7.42458700    2.97485000   -0.59313900
 C                 -6.91918900    3.50064000    0.58671500
 C                 -6.98451200    2.77898200    1.83428700
 C                 -5.81472800    3.14048300    2.60622600
 C                 -5.15098500    2.16552800    3.34678900
 C                 -3.70042200    2.13048500    3.34603100
 C                 -1.42398700    1.33838800    1.85279300
 C                 -2.19038600    0.36841800    2.57996700
 C                 -3.30236900    0.74416300    3.33704400
 C                 -4.49905100   -0.09130200    3.35481000
 C                 -5.64356300    0.79066900    3.34139700
 C                 -6.79291100    0.45511000    2.61080900
 C                 -7.47260000    1.47346800    1.83740200
 C                 -7.94307300    0.87976600    0.59461100
 C                 -7.92443600    1.61485300   -0.59366500
 C                 -4.40691900    3.61547100   -2.60005300
 C                 -5.94345500   -0.73819400   -2.60626200
 C                 -5.22403300    0.20953300   -3.34439800
 C                 -3.77196100    0.18815100   -3.33790800
 C                 -3.09618500   -0.76633600   -2.57383100
 C                 -3.84895300   -1.74131700   -1.80391200
 C                 -5.97373400   -1.98657400   -0.60474400
 C                 -7.12715100   -1.10856200   -0.60247000
 C                 -7.10873400   -0.33838400   -1.84152000
 C                 -7.50560700    0.99915300   -1.83893200
 C                 -6.75783000    1.98784200   -2.60406500
 C                 -5.63850600    1.60200700   -3.34339900
 C                 -3.29043600    1.55007400   -3.33859500
 C                 -2.15598800    1.87968200   -2.58688200
 C                 -1.44356800    0.87488900   -1.84442200
 C                 -1.91928400   -0.40805100   -1.82873700
 C                 -3.14362000   -2.00159100   -0.58195400
 C                 -3.83074700   -2.25065000    0.59893100
 C                 -5.28084300   -2.22871600    0.58810500
 C                 -7.53856600   -0.51225700    0.59220500
 C                 -6.82216200   -0.77192300    1.83460300
 C                 -5.71227200   -1.61738800    1.83113200
 C                 -4.51994200   -1.26847100    2.59666100
 C                 -3.35690200   -1.70252200    1.85300600
 C                 -2.22980800   -0.85421600    1.78431200
 C                 -1.44693400   -0.66996700    0.61841000
 C                 -0.73147800    0.67151900    0.68064300
 C                 -0.70492400    1.50620100   -0.67510900
 C                 -4.44268400    2.43339800   -3.34170100
 C                 -2.11642100    3.11060600   -1.81795800
 C                 -5.24563000   -1.75662500   -1.83864800
 C                 -1.84923100   -1.27508800   -0.60581200
 C                 -0.70943700   -2.70904600   -1.19505200
 C                  3.92515000    2.08850800    3.29728200
 C                  5.37643300    2.04629400    3.29768700
 C                  6.10182500    2.94809100    2.51635600
 C                  5.40346000    3.93043900    1.70214000
 C                  4.00929500    3.95969000    1.69116200
 C                  3.25107700    3.02122500    2.50011800
 C                  3.43794900    0.73110600    3.36136400
 C                  4.58495200   -0.16501500    3.40323900
 C                  5.78576100    0.65196400    3.36335900
 C                  6.90111800    0.21750100    2.64404800
 C                  7.26221100    2.49708100    1.77301300
 C                  6.14208900    4.09496900    0.45983400
 C                  5.45592400    4.29715600   -0.73924300
 C                  4.00479000    4.34303200   -0.74665600
 C                  3.29228200    4.16868300    0.44578500
 C                  2.08901900    3.36572600    0.47276200
 C                  2.06187900    2.64258400    1.76695200
 C                  1.58137000    1.35126000    1.84711400
 C                  2.29876700    0.37806900    2.62926500
 C                  4.54649100   -1.38431000    2.72712800
 C                  3.35779300   -1.76173000    1.97715700
 C                  2.26085600   -0.89187300    1.92218600
 C                  1.52105600   -0.70285500    0.70172900
 C                  0.85346300    0.66162500    0.70335500
 C                  0.87832200    1.44740700   -0.68639200
 C                  1.63605600    2.76382700   -0.68212000
 C                  2.38934400    2.90158700   -1.89903300
 C                  3.54247900    3.69171900   -1.94910200
 C                  7.28744200    3.20645400    0.50143900
 C                  5.80761500    1.12503400   -3.33612300
 C                  6.94739400    1.48391100   -2.61378200
 C                  7.63561200    0.49484400   -1.80257800
 C                  7.15628300   -0.81552600   -1.74353800
 C                  5.97018600   -1.18796200   -2.48984400
 C                  3.85536300   -0.18314000   -3.27426400
 C                  3.45966400    1.20355600   -3.33885500
 C                  4.66338400    2.01976800   -3.37741100
 C                  4.70387200    3.23627300   -2.69736300
 C                  5.88981300    3.61204800   -1.94694600
 C                  6.99007200    2.75363300   -1.90552600
 C                  8.10356100    1.15137700   -0.59343200
 C                  8.07969200    0.47203400    0.62520600
 C                  7.58680400   -0.89374000    0.68806700
 C                  7.13128800   -1.52450400   -0.47165300
 C                  5.92991000   -2.33558300   -0.43161500
 C                  5.20684800   -2.12248700   -1.67678200
 C                  3.81313900   -2.05679900   -1.66874800
 C                  3.11840200   -1.07028000   -2.48036500
 C                  2.34609700    1.63324100   -2.60745400
 C                  1.56431800    0.70995400   -1.82977700
 C                  1.95837700   -0.60993100   -1.74722300
 C                  1.93886000   -1.33021100   -0.45149000
 C                  3.08372100   -2.21409800   -0.42161500
 C                  3.77976300   -2.43865600    0.77237100
 C                  5.23025400   -2.49215000    0.76773300
 C                  5.70626100   -1.83789000    1.97734000
 C                  6.85943400   -1.05202700    1.93555400
 C                  7.70356700    2.54736600   -0.65733600
 C                  7.65466200    1.15835200    1.83379000
 C                  5.30701400   -0.23925100   -3.27189300
 N                 -0.37397900   -3.83094500   -1.08487000
 K                  1.89376500   -5.51915300   -1.64431300
 N                  1.88987300   -5.87272400    1.22432700
 C                 -0.04731800   -7.51837000   -2.53656900
 K                 -0.06949800   -3.95853000    2.06764200
 C                  1.60743100   -6.99903800    1.43312700
 N                 -1.04590700   -7.79829500   -1.97403000
 C                 -2.33817200   -5.77125100    2.05951800
 K                 -0.78645600   -8.58571400    0.80319600
 K                 -2.81570900   -5.60005600   -1.38906100
 N                 -2.80125500   -6.55421400    1.30867700

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




