%nprocshared=24
%mem=100GB
%chk=Pd_TS_ring4_bz_TS_Calc_1-IRCF.chk
#p irc=(calcfc,forward) b3lyp/genecp empiricaldispersion=gd3bj

Pd_TS_ring4_bz_TS_Calc_1

1 1
 C                 -1.91136800   -0.36023300    0.54028700
 C                 -3.54655600   -0.02769200    2.01893900
 C                 -2.54925500   -0.70556100    2.65671800
 N                 -1.53384200   -0.88496400    1.72851100
 N                 -3.12559800    0.19115800    0.71072400
 C                 -0.23783700   -1.51496600    1.82930300
 H                 -0.10059100   -2.10533600    2.73077700
 H                 -0.44391800   -2.48203000    0.73737300
 C                  0.85044300   -0.69840400    1.33976900
 C                  2.15580100   -1.20340900    1.28019800
 C                  0.56205300    0.58383000    0.68214900
 C                  3.13717600   -0.51320000    0.57277700
 H                  2.37025100   -2.17164800    1.71430200
 C                  1.63572500    1.32056000    0.03697000
 H                 -0.14878200    1.23217100    1.18986700
 C                  2.89334300    0.75721800   -0.07346900
 O                  3.87959200    1.33686000   -0.81662700
 O                  4.37874600   -0.96893600    0.39236600
 O                  1.22024200    2.51372300   -0.42296100
 C                  4.76266500   -2.22819700    0.95845500
 H                  4.15546600   -3.03809600    0.54175400
 H                  5.80581800   -2.36455600    0.67686900
 H                  4.66884700   -2.20729300    2.04887000
 C                  5.01760400    1.85401400   -0.10481100
 H                  5.58271400    1.05105300    0.37186800
 H                  5.63522300    2.34636400   -0.85671500
 H                  4.69918400    2.58473300    0.64854600
 C                  2.12429000    3.50510000   -0.93877100
 H                  1.49228700    4.36990500   -1.14210300
 H                  2.87678500    3.76780400   -0.19008400
 H                  2.60922600    3.16138100   -1.85209200
 C                 -3.85875700    0.93956700   -0.32135800
 H                 -3.42548300    0.63827600   -1.27860500
 H                 -4.89878900    0.60288600   -0.29887200
 C                 -3.75473600    2.45538700   -0.12962000
 H                 -4.29494300    2.91975500   -0.96433100
 H                 -4.28685500    2.74974700    0.78445800
 C                 -2.31316900    2.97236800   -0.08279500
 H                 -1.82462600    2.59268800    0.82323800
 H                 -1.74389300    2.56130700   -0.92792500
 C                 -2.22742100    4.49929700   -0.09579200
 H                 -2.76756900    4.93493900    0.75262300
 H                 -1.18512700    4.82915600   -0.03395300
 H                 -2.65885900    4.91327800   -1.01403200
 Pd                -0.55949100   -0.33343700   -0.88824400
 C                 -1.21903300   -3.14872100   -1.24712500
 O                 -1.34980100   -2.06410100   -1.87764000
 O                 -0.79079100   -3.31611400   -0.04297800
 C                 -1.59411400   -4.42947800   -1.95776700
 H                 -1.99195100   -4.21805100   -2.94993100
 H                 -0.70795800   -5.06712000   -2.03879600
 H                 -2.33157900   -4.97342200   -1.36004800
 H                 -4.52112400    0.28292600    2.36188400
 H                 -2.47613000   -1.07240400    3.66803000

C H O N
6-31G(d)
****
Pd
lanl2dz
****

Pd
lanl2dz

--link1--
%nprocshared=24
%mem=100GB
%chk=Pd_TS_ring4_bz_TS_Calc_1-IRCF.chk
#p OPT Freq b3lyp/genecp empiricaldispersion=gd3bj Geom=Check

Pd_TS_ring4_bz_TS_Calc_1

1 1

C H O N
6-31G(d)
****
Pd
lanl2dz
****

Pd
lanl2dz


