%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                 -3.57835600    4.47258800    0.28830600
 C                 -2.81467900    4.04430100   -0.87288600
 C                 -3.46614400    3.76122600   -2.07991800
 C                 -4.91123200    3.86982800   -2.16336300
 C                 -5.64463700    4.27000200   -1.04414800
 C                 -4.96579400    4.58359800    0.20385800
 C                 -2.96211300    3.90848600    1.47683700
 C                 -1.82144300    3.12889300    1.06002500
 C                 -1.73181100    3.20704300   -0.41546000
 C                 -1.33356700    2.11737900   -1.16063400
 C                 -3.05903400    2.61147600   -2.85048900
 C                 -5.39504600    2.78209600   -3.00125700
 C                 -6.59419100    2.13962400   -2.68354700
 C                 -7.35926800    2.56157400   -1.52233600
 C                 -6.89131800    3.60385200   -0.71585200
 C                 -6.99043100    3.51590100    0.73171200
 C                 -5.79918100    4.11977600    1.30273900
 C                 -5.21014600    3.57101200    2.44400700
 C                 -3.76770200    3.46964700    2.54044300
 C                 -1.54838900    1.93296700    1.69339900
 C                 -2.36564500    1.47221500    2.77888600
 C                 -3.45866100    2.22312600    3.20681500
 C                 -4.70397700    1.55258100    3.55131500
 C                 -5.78592900    2.38094400    3.06565800
 C                 -6.93491100    1.80324700    2.51696500
 C                 -7.53922300    2.37657900    1.32514100
 C                 -8.00863800    1.28813400    0.48690100
 C                 -7.92633000    1.37769400   -0.90529100
 C                 -4.24828000    1.99924800   -3.42178800
 C                 -6.05241700   -1.75881300   -1.47082800
 C                 -5.26492700   -1.31089400   -2.53166700
 C                 -3.81999600   -1.40840100   -2.43694100
 C                 -3.21883600   -1.94288800   -1.28738000
 C                 -4.04342200   -2.40860200   -0.18366600
 C                 -6.18643200   -1.90354800    0.86883900
 C                 -7.24303900   -1.04292600    0.40298100
 C                 -7.18886400   -0.97082900   -1.04304100
 C                 -7.51274500    0.22460900   -1.68607600
 C                 -6.69377500    0.69323500   -2.78848600
 C                 -5.58875800   -0.05966500   -3.19860400
 C                 -3.25441200   -0.23010300   -3.04813200
 C                 -2.11934400    0.35288900   -2.47774400
 C                 -1.48781600   -0.23373500   -1.32562300
 C                 -2.01537600   -1.36779700   -0.75515500
 C                 -3.37885100   -2.14981800    1.05949700
 C                 -4.10151500   -1.70818400    2.16460800
 C                 -5.54118400   -1.59557700    2.06923600
 C                 -7.67450400    0.04454800    1.15337000
 C                 -7.01246500    0.35951800    2.40624400
 C                 -5.96229800   -0.44703100    2.85208400
 C                 -4.77384300    0.15516400    3.43137900
 C                 -3.62537900   -0.64210900    3.04718500
 C                 -2.45741200    0.02064500    2.64988700
 C                 -1.64842200   -0.38488800    1.54769100
 C                 -1.04175200    0.75042100    0.96992100
 C                 -0.74602700    0.83696300   -0.54103000
 C                 -4.34207100    0.60945800   -3.52522700
 C                 -2.02163300    1.79970200   -2.37404600
 C                 -5.43752400   -2.33664300   -0.28494600
 C                 -1.93152000   -1.65784000    0.76861000
 C                  3.90596100    3.71847000    2.16968500
 C                  5.34718300    3.74761500    2.06906800
 C                  5.95563200    4.09281200    0.85962300
 C                  5.15820200    4.41810700   -0.30802000
 C                  3.77026800    4.37118500   -0.22332200
 C                  3.12441600    4.00707200    1.03465700
 C                  3.55093000    2.59548600    3.01425400
 C                  4.77372600    1.93563800    3.45352600
 C                  5.88879100    2.65246400    2.86536300
 C                  7.00900900    1.94650200    2.42380600
 C                  7.08593300    3.33062900    0.40234300
 C                  5.83523900    3.88998700   -1.48725900
 C                  5.10114400    3.34877000   -2.54278100
 C                  3.65355500    3.30594600   -2.45936200
 C                  3.00626200    3.79980100   -1.31599200
 C                  1.89416200    3.08178100   -0.74230900
 C                  1.95335900    3.22864500    0.72634600
 C                  1.63398700    2.13171200    1.52671300
 C                  2.43747300    1.82213000    2.69563400
 C                  4.82458200    0.54419200    3.57504300
 C                  3.65230100   -0.25663200    3.25850400
 C                  2.49072700    0.38015600    2.81870700
 C                  1.72195100   -0.17067600    1.72269200
 C                  1.07662200    0.90598600    0.99773800
 C                  0.81709900    0.78533500   -0.52317600
 C                  1.46727100    1.90801500   -1.32567500
 C                  2.14571600    1.37656000   -2.46783100
 C                  3.21345000    2.06635300   -3.05173100
 C                  7.04280400    3.22792300   -1.04348400
 C                  5.64931600   -0.71501900   -2.94526900
 C                  6.77717200    0.04882800   -2.63830600
 C                  7.57637700   -0.27507500   -1.46849000
 C                  7.22072500   -1.35223000   -0.65152400
 C                  6.04711800   -2.14130500   -0.96769900
 C                  3.82839200   -1.86828300   -2.00863200
 C                  3.30530800   -0.78173600   -2.80235600
 C                  4.42986000   -0.06065500   -3.38732600
 C                  4.38457400    1.32843200   -3.50633200
 C                  5.55587900    2.12573300   -3.19061100
 C                  6.72802600    1.49694000   -2.76389000
 C                  8.02340400    0.97046400   -0.87238800
 C                  8.09093000    1.09033400    0.51745400
 C                  7.73429000   -0.02910400    1.36986800
 C                  7.30026900   -1.22581900    0.79775900
 C                  6.18172900   -1.94481400    1.37956500
 C                  5.40070000   -2.50230700    0.28763500
 C                  4.00778900   -2.52670900    0.36826500
 C                  3.20723200   -2.19746900   -0.79703600
 C                  2.18667900   -0.07374500   -2.34286800
 C                  1.51418400   -0.44519800   -1.12503900
 C                  2.04014200   -1.46550700   -0.35086400
 C                  2.11424900   -1.35977700    1.12246200
 C                  3.33071400   -2.00392600    1.55017100
 C                  4.08961300   -1.47728600    2.61187800
 C                  5.53403300   -1.43508300    2.51131300
 C                  5.99124200   -0.18856200    3.11201100
 C                  7.06504600    0.49954900    2.54903400
 C                  7.49210700    2.06359700   -1.66841100
 C                  7.63594300    2.30549900    1.16702100
 C                  5.27715600   -1.83502700   -2.09329700
 C                 -0.96485600   -2.74060200    1.04143400
 N                 -0.23001800   -3.61474000    1.25399000
 K                  1.85904700   -5.51229600    1.68908600
 N                 -0.50422100   -7.18097000    2.29206100
 K                 -2.92892900   -5.76158300    1.55071300
 C                 -0.45003100   -8.01374600    1.45790800
 C                 -2.46301000   -5.75278600   -1.31290500
 K                 -0.03391300   -8.07173500   -1.45183400
 K                  0.13362200   -3.65087800   -2.63978100
 N                 -1.74978700   -5.73762300   -2.25144400
 C                  2.12224600   -5.57379300   -1.81556900
 N                  2.33776300   -6.37628700   -0.97891400

36 71 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


