%nprocshared=20
%mem=40GB
%chk=Pd_intmdte_r6_modre_opt_IRC_1.chk
#p opt freq b3lyp/genecp empiricaldispersion=gd3bj

Pd_intmdte_r6_modre_opt_IRC_1

1 1
 C                 -2.05245700   -1.16817200   -0.19755300
 C                 -3.97522900   -1.29126200    1.00004400
 C                 -3.05254800   -2.06729100    1.62850500
 N                 -1.88274800   -1.97795900    0.87799700
 N                 -3.34193400   -0.75506500   -0.11549800
 C                 -0.57332700   -2.52058700    1.27137900
 H                 -0.62050200   -2.71385200    2.34797900
 H                 -0.40930600   -3.47684300    0.76696500
 C                  0.55101900   -1.55617200    0.93952500
 C                  1.66012500   -2.00316800    0.23536400
 C                  0.45024300   -0.19336500    1.29760000
 C                  2.66533500   -1.09657500   -0.15125000
 H                  1.71613200   -3.03836300   -0.07604900
 C                  1.48134100    0.71598600    0.95691100
 H                 -0.31514100    0.15148500    1.98539500
 C                  2.58185500    0.27596100    0.19084700
 O                  3.48028100    1.18676400   -0.27619000
 O                  3.72555900   -1.43518200   -0.90791700
 O                  1.28519300    1.98758200    1.38087800
 C                  3.86956400   -2.78959500   -1.34143000
 H                  3.02308000   -3.09021000   -1.96851500
 H                  4.78639400   -2.81029400   -1.92948900
 H                  3.96398500   -3.46770800   -0.48621500
 C                  4.85404100    1.03856900    0.12846200
 H                  5.29993600    0.14824000   -0.31591600
 H                  5.36230200    1.93315900   -0.23269000
 H                  4.92674400    0.98822500    1.22132400
 C                  2.39893500    2.84492700    1.68847600
 H                  1.97957100    3.63535600    2.31228300
 H                  3.15919600    2.29828200    2.25479800
 H                  2.83659300    3.26406800    0.78286700
 C                 -3.86997100    0.28473600   -1.00973900
 H                 -4.03581300   -0.14795700   -2.00056700
 H                 -4.84366500    0.59107200   -0.61458000
 C                 -2.96133200    1.50786700   -1.10507300
 C                 -2.30327800    2.06236200   -0.04599400
 H                 -2.38403900    1.57144000    0.92444900
 H                 -1.53056300    0.45528000   -2.05739600
 C                 -1.63711400    3.40652200   -0.05072500
 H                 -2.26994600    4.13099900    0.48004700
 H                 -0.67582800    3.37319900    0.47197200
 H                 -1.47792700    3.77772100   -1.06778500
 Pd                -0.67109300    0.33159500   -0.78943500
 H                 -5.00880000   -1.08951800    1.23566100
 H                 -3.12610000   -2.67114500    2.51967200
 H                 -3.03973000    2.06768600   -2.03531500

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

Pd
lanl2dz



















