%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                 -3.42329600    4.44885800   -0.52287900
 C                 -2.75990200    3.77783900   -1.63067300
 C                 -3.50371300    3.29609900   -2.71621200
 C                 -4.94765200    3.44573900   -2.72087800
 C                 -5.58508900    4.08112800   -1.65220400
 C                 -4.80927400    4.59778800   -0.53482900
 C                 -2.74036800    4.09068300    0.70730300
 C                 -1.66223500    3.18813800    0.37000400
 C                 -1.67364000    2.99871900   -1.09857500
 C                 -1.36582700    1.77323700   -1.64881600
 C                 -3.18418500    2.00691700   -3.27926800
 C                 -5.52016200    2.24059000   -3.30209100
 C                 -6.70848200    1.71855900   -2.78521000
 C                 -7.37392900    2.38414200   -1.67786700
 C                 -6.82215200    3.54138800   -1.11933000
 C                 -6.81909600    3.73395300    0.32171400
 C                 -5.57138700    4.38404400    0.68550800
 C                 -4.91728400    4.03932200    1.87047800
 C                 -3.47549700    3.89462800    1.88618900
 C                 -1.37027800    2.12937500    1.20434100
 C                 -2.11831200    1.92490100    2.41435100
 C                 -3.15175800    2.78837900    2.76341000
 C                 -4.38788800    2.24742000    3.31276000
 C                 -5.47765200    3.01513900    2.74841100
 C                 -6.67874600    2.39229200    2.39998000
 C                 -7.35185800    2.75242500    1.15971200
 C                 -7.90541900    1.54434000    0.57858100
 C                 -7.92441600    1.36372200   -0.80718700
 C                 -4.42783900    1.34642800   -3.64022300
 C                 -6.17616300   -1.89528600   -0.88283000
 C                 -5.45764300   -1.68941100   -2.06022600
 C                 -4.01221700   -1.82488300   -2.04483100
 C                 -3.34315800   -2.15341000   -0.85717400
 C                 -4.10137800   -2.37296400    0.36735100
 C                 -6.14021900   -1.58868500    1.44634400
 C                 -7.18126200   -0.77397200    0.89243100
 C                 -7.24888000   -0.98897700   -0.53754500
 C                 -7.59616600    0.06855900   -1.37676800
 C                 -6.85114000    0.28429200   -2.60288100
 C                 -5.79712000   -0.57600300   -2.93134000
 C                 -3.46007300   -0.81072200   -2.90786900
 C                 -2.26494600   -0.18238100   -2.54358400
 C                 -1.54656000   -0.56861800   -1.35037600
 C                 -2.08421900   -1.54444400   -0.52983600
 C                 -3.35213400   -1.91487000    1.49507700
 C                 -3.97744500   -1.24561700    2.54985000
 C                 -5.41256200   -1.08903100    2.52784700
 C                 -7.55243000    0.44090100    1.44928500
 C                 -6.80164000    0.95856700    2.57535400
 C                 -5.75009000    0.20420100    3.10317800
 C                 -4.50940900    0.85684800    3.47963800
 C                 -3.41650900   -0.04905300    3.17911200
 C                 -2.27555700    0.48347000    2.57412400
 C                 -1.61895500   -0.15244100    1.48738700
 C                 -1.00534300    0.79618000    0.67191900
 C                 -0.74993700    0.63575000   -0.83539100
 C                 -4.56028900   -0.03205300   -3.46182200
 C                 -2.13466600    1.25628300   -2.73105000
 C                 -5.49509300   -2.26587000    0.34789400
 C                 -1.92517900   -1.54522000    1.01817800
 C                  3.54520700    2.88816400    2.83019300
 C                  4.97990300    3.03205400    2.83306300
 C                  5.60395100    3.75587100    1.81404300
 C                  4.84392400    4.36414100    0.73592300
 C                  3.46445500    4.21042700    0.70925600
 C                  2.80243000    3.45210100    1.76803400
 C                  3.24798900    1.54463000    3.28486200
 C                  4.49600500    0.85869700    3.59198100
 C                  5.57436400    1.78631300    3.31174000
 C                  6.76103800    1.30930400    2.75380100
 C                  6.79149600    3.21704100    1.22587800
 C                  5.61245100    4.24248000   -0.49935300
 C                  4.97470100    3.99177300   -1.71512800
 C                  3.53291700    3.83257800   -1.74369200
 C                  2.79976500    3.92925800   -0.55190700
 C                  1.73214100    2.99710100   -0.28423700
 C                  1.73050200    2.72490700    1.16469000
 C                  1.50290500    1.41711800    1.57259400
 C                  2.22481400    0.82370200    2.67268000
 C                  4.64927900   -0.50233600    3.30061800
 C                  3.55989300   -1.24741300    2.68412600
 C                  2.37276700   -0.58409100    2.37417900
 C                  1.70004500   -0.83113000    1.10775500
 C                  1.07952600    0.38901700    0.67001100
 C                  0.82611900    0.65360200   -0.81572100
 C                  1.41487000    2.01876900   -1.20880300
 C                  2.18622900    1.89231200   -2.40863000
 C                  3.22022100    2.79193800   -2.69350900
 C                  6.84015100    3.54995600   -0.18383600
 C                  5.86672400    0.26655900   -3.23879100
 C                  6.91433700    0.97625900   -2.64886000
 C                  7.68299900    0.37425500   -1.57176500
 C                  7.37868100   -0.91574700   -1.12818300
 C                  6.28712800   -1.64828900   -1.73763700
 C                  4.10483300   -1.22688100   -2.80503400
 C                  3.53180200    0.01044000   -3.28018200
 C                  4.61941600    0.94255100   -3.55134800
 C                  4.46681500    2.29821600   -3.26406400
 C                  5.55473300    3.04194400   -2.65529900
 C                  6.75286600    2.39075600   -2.35104500
 C                  7.99916700    1.41488100   -0.61095200
 C                  7.98958900    1.12448700    0.75515300
 C                  7.69056100   -0.21681600    1.22157400
 C                  7.37997000   -1.21650400    0.29806600
 C                  6.29865200   -2.14472700    0.56885500
 C                  5.61455700   -2.40256300   -0.68818400
 C                  4.22795200   -2.53999500   -0.71576300
 C                  3.45856500   -1.94227500   -1.78910700
 C                  2.33725600    0.47581800   -2.71513600
 C                  1.63636800   -0.28730400   -1.71594800
 C                  2.21322300   -1.45253500   -1.23193800
 C                  2.21292700   -1.77307800    0.21137400
 C                  3.45658200   -2.42629600    0.51603100
 C                  4.12145600   -2.19527500    1.73971800
 C                  5.56075700   -2.03379000    1.75371600
 C                  5.88884500   -0.99320800    2.72174000
 C                  6.92962700   -0.10361100    2.45766200
 C                  7.41480000    2.65537300   -1.08795500
 C                  7.40476600    2.06037600    1.69643900
 C                  5.54855000   -1.07617500   -2.77713800
 C                 -0.95969800   -2.56562400    1.47953800
 N                 -0.25728200   -3.40435700    1.86968100
 K                  1.92251600   -5.29240800    2.07949400
 N                 -0.29369700   -7.02832200    2.92204200
 K                 -2.75409200   -5.64894600    2.32931500
 C                 -0.31113500   -7.92582900    2.15611000
 C                 -2.51870100   -5.74585700   -0.56076100
 K                 -0.08550700   -8.08054900   -0.77387700
 K                 -0.06092400   -3.78266200   -2.38796000
 N                 -1.87123400   -5.78718700   -1.54491500
 C                  1.99772300   -5.59964400   -1.49174000
 N                  2.21641600   -6.28951200   -0.56090200

36 71 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


