%nprocshared=28
%mem=100GB
%chk=TS5_Iso.chk
#p opt=(TS,CalcFC,noeigentest) freq b3lyp/genecp empiricaldispersion=gd3bj

TS

1 1
 C                    -1.97305   1.08098   0.11122
 C                    -3.38393   2.71063   0.68738
 C                    -2.21079   3.29025   0.31495
 H                    -4.30335   3.1424    1.05021
 H                    -1.91918   4.32784   0.2723
 N                    -3.22289   1.34411   0.54647
 N                    -1.34113   2.27325  -0.04241
 C                     0.00308   2.56244  -0.60688
 H                    -0.13894   2.71589  -1.68367
 H                     0.30603   3.51963  -0.17624
 C                     1.05045   1.49982  -0.36674
 C                     0.67164   0.17165  -0.32541
 C                     2.40513   1.83427  -0.26174
 C                     1.61853  -0.84183  -0.18165
 C                     3.36044   0.81221  -0.13618
 H                     2.7226    2.87053  -0.28778
 C                     2.9787   -0.56114  -0.07968
 O                     3.90383  -1.56208  -0.02683
 O                     1.01863  -2.09631  -0.20251
 O                     4.69252   1.02963  -0.07294
 C                     1.5853   -3.17294   0.56782
 H                     1.78773  -2.84353   1.59316
 H                     0.82923  -3.95918   0.57193
 H                     2.50314  -3.52843   0.10123
 C                     4.71639  -1.63317   1.15658
 H                     5.33426  -2.52385   1.03605
 H                     5.34947  -0.74977   1.25319
 H                     4.0851   -1.74012   2.04772
 C                     5.18363   2.36084  -0.20759
 H                     6.26965   2.27776  -0.17101
 H                     4.87967   2.79547  -1.16669
 H                     4.83621   2.99626   0.61574
 C                    -4.25667   0.34746   0.90008
 H                    -5.20936   0.88053   0.87469
 H                    -4.07321   0.02809   1.93197
 Pd                   -1.18194  -0.66856  -0.17853
 C                    -4.26939  -0.85388  -0.04172
 H                    -4.41634  -0.50744  -1.07277
 H                    -5.16457  -1.43958   0.21926
 C                    -3.01743  -1.70417   0.06518
 H                    -2.90871  -2.06674   1.10263
 C                    -2.96687  -2.87419  -0.91007
 H                    -3.14163  -2.54814  -1.94153
 H                    -1.99832  -3.39327  -0.88419
 H                    -3.72973  -3.63029  -0.66903
 H                    -1.47293  -0.3373   -1.62829

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


