%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                 -3.71286600    4.47946400    0.33627800
 C                 -2.92648200    4.08402300   -0.82046200
 C                 -3.56180700    3.79968800   -2.03516800
 C                 -5.00888900    3.87614800   -2.13237200
 C                 -5.76294300    4.24737400   -1.01739500
 C                 -5.10244100    4.56124200    0.23950800
 C                 -3.09418300    3.91706700    1.52332400
 C                 -1.92585000    3.17279300    1.11195000
 C                 -1.82258100    3.27088300   -0.36239100
 C                 -1.38488700    2.20173100   -1.11635500
 C                 -3.12032900    2.66801600   -2.81290800
 C                 -5.46070500    2.78714900   -2.98500100
 C                 -6.64855700    2.11383600   -2.68511200
 C                 -7.43596400    2.50557600   -1.52992500
 C                 -6.99794700    3.54915600   -0.70910000
 C                 -7.10964400    3.44168200    0.73522000
 C                 -5.93701800    4.06577700    1.32347000
 C                 -5.34645500    3.51757500    2.46266600
 C                 -3.90191500    3.44844800    2.57162200
 C                 -1.62032900    1.98041200    1.73840800
 C                 -2.45262000    1.48580600    2.80073200
 C                 -3.57000900    2.20261500    3.22501100
 C                 -4.80555600    1.50116000    3.54774600
 C                 -5.90223200    2.30784700    3.06256500
 C                 -7.03506200    1.70994500    2.49784600
 C                 -7.64039400    2.28322200    1.30872200
 C                 -8.08591600    1.19352000    0.45653300
 C                 -7.98779700    1.30237400   -0.93312700
 C                 -4.29148900    2.03642000   -3.40172700
 C                 -6.04433700   -1.78060700   -1.50949200
 C                 -5.24997400   -1.30146100   -2.55397200
 C                 -3.80327000   -1.36414000   -2.44562600
 C                 -3.20170400   -1.89326300   -1.29738500
 C                 -4.02992100   -2.39002200   -0.21128900
 C                 -6.21231000   -1.96386600    0.82305600
 C                 -7.32177400   -1.14921500    0.35812100
 C                 -7.21715500   -1.03677200   -1.08989100
 C                 -7.54445100    0.16551400   -1.72178900
 C                 -6.71773300    0.66723000   -2.80592100
 C                 -5.59143100   -0.05316000   -3.21302300
 C                 -3.25348200   -0.16924000   -3.03845600
 C                 -2.13305400    0.43185400   -2.45371800
 C                 -1.49351400   -0.15060400   -1.30221800
 C                 -2.01198200   -1.29818800   -0.74957800
 C                 -3.37759100   -2.13298900    1.03640700
 C                 -4.12556800   -1.72142100    2.13293800
 C                 -5.57077200   -1.64695600    2.02604500
 C                 -7.74443400   -0.05548500    1.11362000
 C                 -7.08754500    0.26583100    2.37201900
 C                 -6.01916400   -0.51708600    2.81699000
 C                 -4.84524400    0.10636200    3.40945200
 C                 -3.67496800   -0.65610100    3.02585900
 C                 -2.51138400    0.03546400    2.65001100
 C                 -1.66544800   -0.33744600    1.56538300
 C                 -1.05049500    0.82004000    1.01393900
 C                 -0.76246500    0.92997200   -0.50555500
 C                 -4.35497300    0.64729300   -3.51963500
 C                 -2.06502600    1.87841700   -2.33659700
 C                 -5.42868800   -2.35382000   -0.32447500
 C                 -1.93315400   -1.60645700    0.76776500
 C                  4.04416800    3.72539200    2.12515400
 C                  5.47871100    3.66900000    1.99938500
 C                  6.04002600    3.85279800    0.75293300
 C                  5.29063000    4.29451400   -0.38115300
 C                  3.90764100    4.34335900   -0.27560300
 C                  3.26395300    4.02739800    0.99490500
 C                  3.66277800    2.64982900    3.00851600
 C                  4.87540300    1.95878400    3.45168600
 C                  6.00972700    2.60887900    2.82908800
 C                  7.11871200    1.87759500    2.39124000
 C                  7.23650000    3.20097900    0.32677000
 C                  5.96751700    3.78773200   -1.55892600
 C                  5.20251600    3.27620700   -2.60037800
 C                  3.74955900    3.28571400   -2.49486100
 C                  3.11204300    3.81079400   -1.35680500
 C                  1.97153300    3.14821500   -0.75984600
 C                  2.05584600    3.29865700    0.71288900
 C                  1.69309600    2.23902800    1.54785800
 C                  2.51321500    1.92074500    2.71329800
 C                  4.88977400    0.57351700    3.59760400
 C                  3.68330900   -0.18385500    3.30829900
 C                  2.52856400    0.48313100    2.86831900
 C                  1.71771100   -0.05245200    1.79382800
 C                  1.06357500    1.02451100    1.05102200
 C                  0.80698400    0.89862800   -0.49325700
 C                  1.48807900    1.99207100   -1.32868200
 C                  2.16488200    1.42500500   -2.46747100
 C                  3.26349900    2.05803100   -3.06781000
 C                  7.17409600    3.10627200   -1.11942500
 C                  5.63350700   -0.79208200   -2.94334400
 C                  6.79000500   -0.06976200   -2.65368700
 C                  7.58793500   -0.40538900   -1.47957700
 C                  7.20893500   -1.45411000   -0.63348800
 C                  6.00418700   -2.19483100   -0.92562400
 C                  3.80319500   -1.80174900   -1.93496800
 C                  3.28222000   -0.75309000   -2.76658700
 C                  4.42419600   -0.10283800   -3.38881900
 C                  4.41384200    1.28103800   -3.52864600
 C                  5.61909800    2.03495400   -3.23436300
 C                  6.78088000    1.37498000   -2.80648200
 C                  8.08335200    0.82893300   -0.90577500
 C                  8.17734900    0.95781100    0.48756500
 C                  7.78573500   -0.13028300    1.36818900
 C                  7.30906200   -1.31719100    0.81844000
 C                  6.17186700   -1.98300000    1.42922400
 C                  5.36434700   -2.50778700    0.34717400
 C                  3.98217100   -2.42104200    0.45079200
 C                  3.24589300   -1.95737300   -0.68164800
 C                  2.17752600   -0.01599600   -2.31160700
 C                  1.50281900   -0.33461100   -1.07354900
 C                  2.04704900   -1.30601200   -0.26456900
 C                  2.09708300   -1.24381400    1.20560300
 C                  3.30308400   -1.91909000    1.63209400
 C                  4.08693900   -1.42417200    2.68079500
 C                  5.53716400   -1.43633500    2.55698000
 C                  6.03594800   -0.19930300    3.13164200
 C                  7.13277600    0.43711600    2.54339500
 C                  7.58281600    1.92500500   -1.72746400
 C                  7.75915300    2.18971700    1.12271500
 C                  5.23999800   -1.86652500   -2.05134900
 C                 -0.95224400   -2.67868800    1.03014700
 N                 -0.20493500   -3.54454300    1.23319500
 K                  1.89793100   -5.42181500    1.66333500
 N                 -0.42665700   -7.13196400    2.24057400
 K                 -2.86872200   -5.73844800    1.52923700
 C                 -0.36258200   -7.97246400    1.41486300
 C                 -2.41066700   -5.71394900   -1.33104300
 K                  0.06577900   -7.99505800   -1.49537700
 K                  0.12925500   -3.54846600   -2.61960600
 N                 -1.69061300   -5.69451900   -2.26429300
 C                  2.17761800   -5.43625700   -1.85880000
 N                  2.38076300   -6.23653000   -1.01683200

63 108 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


