%nprocshared=20
%mem=40GB
%chk=Pd_int_IRC_1_SP.chk
#p  b3lyp/genecp empiricaldispersion=gd3bj

Pd_int_IRC_1_SP

1 1
 C                 -2.15714800    0.75556700    0.20090300
 C                 -4.15666200    1.77124200   -0.00150600
 C                 -3.24152900    2.71632400    0.35892500
 N                 -2.01736800    2.06323900    0.47270400
 N                 -3.45932500    0.57268700   -0.09702200
 C                 -0.72115800    2.63618700    0.87962500
 H                 -0.59507300    3.59117000    0.36471700
 H                 -0.75938200    2.83569600    1.95698300
 C                  0.43592500    1.71423100    0.54709500
 C                  0.60743400    0.46569500    1.25695300
 C                  1.32713200    2.06993000   -0.42526100
 C                  1.81058900   -0.26944000    1.03259300
 H                  0.11830900    0.36315300    2.22303100
 C                  2.46545200    1.26258200   -0.72945000
 H                  1.20614000    2.97825400   -1.00556100
 C                  2.71921900    0.10087200    0.00701500
 O                  3.79191800   -0.70251900   -0.25826000
 O                  2.19522000   -1.31108200    1.77316000
 O                  3.18945600    1.75025300   -1.74217400
 C                  1.33386200   -1.81400400    2.79384300
 H                  0.38213100   -2.13431100    2.35167800
 H                  1.85736200   -2.66814800    3.22117800
 H                  1.15804000   -1.06089000    3.57006600
 C                  4.89027100   -0.60173900    0.66358700
 H                  4.58874100   -0.91025400    1.66744000
 H                  5.65835800   -1.27717500    0.28488900
 H                  5.27915800    0.42380900    0.68968600
 C                  4.31758600    1.06886600   -2.31935200
 H                  4.57327700    1.66632200   -3.19472500
 H                  5.16072000    1.05238200   -1.62528800
 H                  4.05549000    0.05208300   -2.61213900
 C                 -3.94927800   -0.78582600   -0.34744100
 H                 -4.51848700   -1.12057600    0.52429700
 H                 -4.63113900   -0.76566300   -1.20479000
 C                 -2.79932600   -1.76671000   -0.61379300
 C                 -1.95575800   -1.68138800   -1.71000800
 H                 -2.02287800   -0.78591000   -2.32953900
 H                 -2.89222600   -2.72678000   -0.11086700
 C                 -1.22585600   -2.84210300   -2.32244900
 H                 -0.21790300   -2.56089500   -2.63676500
 H                 -1.15511500   -3.68654500   -1.63344700
 H                 -1.77486000   -3.16030600   -3.22016000
 Pd                -0.87492000   -0.84229700    0.12779200
 H                 -5.21392300    1.85592400   -0.19934500
 H                 -3.35534200    3.77568100    0.52983300
 H                  0.06449900   -2.13778700    0.07115800

C H O N
cc-pVTZ
****
@/home/eapaloo/electrocyreact/cc-pVTZ_Pd_Basis_set.gbs/N

















