%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                 -3.68348100    4.47155800    0.32465600
 C                 -2.89893200    4.06943400   -0.83105800
 C                 -3.53546600    3.78510100   -2.04522300
 C                 -4.98215600    3.86814400   -2.14262900
 C                 -5.73451700    4.24567900   -1.02860800
 C                 -5.07260200    4.55963200    0.22758000
 C                 -3.06753000    3.90922600    1.51318400
 C                 -1.90276600    3.15837800    1.10375400
 C                 -1.79908300    3.25230800   -0.37096100
 C                 -1.36673300    2.17896700   -1.12214100
 C                 -3.09923800    2.64948800   -2.82007200
 C                 -5.43898400    2.77905700   -2.99254700
 C                 -6.62999900    2.11209100   -2.69114300
 C                 -7.41550700    2.51031700   -1.53677800
 C                 -6.97274800    3.55401200   -0.71862400
 C                 -7.08491200    3.45065700    0.72600800
 C                 -5.90946900    4.07087900    1.31283500
 C                 -5.32154400    3.52288500    2.45350900
 C                 -3.87729900    3.44724100    2.56278800
 C                 -1.60244100    1.96628100    1.73327900
 C                 -2.43670000    1.47845000    2.79732700
 C                 -3.55102700    2.20165400    3.21945300
 C                 -4.78976100    1.50672200    3.54348200
 C                 -5.88292300    2.31734700    3.05636000
 C                 -7.01812500    1.72304200    2.49286000
 C                 -7.62108600    2.29613700    1.30235300
 C                 -8.07162200    1.20631800    0.45297300
 C                 -7.97289700    1.31121800   -0.93699400
 C                 -4.27323900    2.02187100   -3.40738300
 C                 -6.04375800   -1.78214300   -1.50568500
 C                 -5.24700600   -1.30920100   -2.55109100
 C                 -3.80055800   -1.37849200   -2.44277000
 C                 -3.20128400   -1.90756700   -1.29329700
 C                 -4.03203800   -2.39737900   -0.20616500
 C                 -6.21240100   -1.95862700    0.82728400
 C                 -7.31826700   -1.14019500    0.36036300
 C                 -7.21316300   -1.03187300   -1.08796000
 C                 -7.53485600    0.17036600   -1.72283100
 C                 -6.70581100    0.66549100   -2.80826300
 C                 -5.58272600   -0.06109800   -3.21339800
 C                 -3.24522500   -0.18776900   -3.03862900
 C                 -2.12195500    0.40943300   -2.45537600
 C                 -1.48456000   -0.17336900   -1.30264100
 C                 -2.00836400   -1.31729400   -0.74708300
 C                 -3.37887700   -2.13968000    1.04075600
 C                 -4.12461100   -1.72243400    2.13626200
 C                 -5.56933500   -1.64170200    2.02951100
 C                 -7.73576200   -0.04259000    1.11315200
 C                 -7.07729400    0.27883700    2.37070900
 C                 -6.01249100   -0.50772600    2.81769300
 C                 -4.83596400    0.11195600    3.40871000
 C                 -3.66893800   -0.65642500    3.02628400
 C                 -2.50196700    0.02822500    2.65039600
 C                 -1.65706700   -0.35157700    1.56565600
 C                 -1.03819000    0.80132000    1.01128200
 C                 -0.74943800    0.90633900   -0.50825500
 C                 -4.34304100    0.63279700   -3.52172100
 C                 -2.04764000    1.85602400   -2.34179400
 C                 -5.43059400   -2.35498600   -0.31922000
 C                 -1.93144800   -1.62165100    0.77130100
 C                  4.05018300    3.74637500    2.14344400
 C                  5.49504900    3.74451300    2.03266600
 C                  6.11478800    4.07041300    0.82208300
 C                  5.30168300    4.39482200   -0.33678900
 C                  3.90960000    4.37761300   -0.24030300
 C                  3.26071400    4.04284300    1.02058800
 C                  3.66746400    2.64324600    2.99893400
 C                  4.87689100    1.95951300    3.43427300
 C                  6.00936900    2.64256000    2.83372100
 C                  7.11111600    1.90922100    2.39034700
 C                  7.25777700    3.30410400    0.36234700
 C                  5.95388600    3.84548700   -1.51680000
 C                  5.18854900    3.31428300   -2.55712500
 C                  3.74014100    3.30754000   -2.46036500
 C                  3.11461100    3.82245900   -1.31798200
 C                  1.97871600    3.14302200   -0.73370000
 C                  2.05859800    3.29613400    0.73274000
 C                  1.69853800    2.22192700    1.54697700
 C                  2.52379800    1.90108300    2.70033500
 C                  4.88985000    0.57037800    3.56810000
 C                  3.69243100   -0.20011100    3.26959400
 C                  2.54044600    0.46040000    2.83523300
 C                  1.73564300   -0.08040000    1.75867400
 C                  1.07629900    1.00273200    1.04035000
 C                  0.82145200    0.87416300   -0.49125200
 C                  1.49978700    1.98186400   -1.30618500
 C                  2.17009000    1.42432500   -2.44641200
 C                  3.25687500    2.07807200   -3.04009200
 C                  7.16223400    3.16948700   -1.08482800
 C                  5.62178400   -0.75997200   -2.93888700
 C                  6.77213700   -0.02341700   -2.64706200
 C                  7.57505900   -0.35923700   -1.48422600
 C                  7.19746400   -1.42016200   -0.65684000
 C                  6.00063800   -2.18143300   -0.95584500
 C                  3.77939100   -1.85717700   -1.97725300
 C                  3.27635100   -0.76354800   -2.77381400
 C                  4.41461900   -0.07849200   -3.37421400
 C                  4.40471700    1.30941600   -3.50121500
 C                  5.60126000    2.07740500   -3.20210100
 C                  6.76180700    1.42430300   -2.78243100
 C                  8.06496400    0.87888800   -0.90330900
 C                  8.15417200    1.00908900    0.48452900
 C                  7.76740900   -0.09443600    1.34685500
 C                  7.29427700   -1.28397500    0.78986800
 C                  6.16231300   -1.96864600    1.38669500
 C                  5.35603000   -2.51479400    0.30751900
 C                  3.96317100   -2.49983800    0.40130800
 C                  3.15991800   -2.16009100   -0.75854100
 C                  2.17833400   -0.02453500   -2.31041800
 C                  1.50473900   -0.37077800   -1.08535800
 C                  2.01319100   -1.39725900   -0.30838200
 C                  2.10204900   -1.28044000    1.16306600
 C                  3.30942300   -1.95030700    1.58346100
 C                  4.09291200   -1.43639500    2.63180100
 C                  5.53813100   -1.43299300    2.51861000
 C                  6.03422300   -0.19428600    3.10221100
 C                  7.12254400    0.46130200    2.52529400
 C                  7.55880200    1.98136500   -1.70340100
 C                  7.75001000    2.24674900    1.12947100
 C                  5.22792900   -1.86318800   -2.07579200
 C                 -0.96001700   -2.70104000    1.03926100
 N                 -0.22235500   -3.57412200    1.24660500
 K                  1.86033200   -5.47466700    1.67030600
 N                 -0.49048400   -7.15500800    2.30797200
 K                 -2.91940500   -5.73241300    1.56200800
 C                 -0.43306700   -7.97292000    1.45951400
 C                 -2.46574000   -5.74603500   -1.30272200
 K                 -0.03570100   -8.04412900   -1.44982300
 K                  0.11816100   -3.60435700   -2.61734600
 N                 -1.76737700   -5.68430500   -2.25035200
 C                  2.09388700   -5.54465200   -1.81482400
 N                  2.35606400   -6.34707800   -0.99161400

28 102 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



