%nprocshared=20
%mem=46GB
%chk=Pd_prdt_ring_MeO_SP
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring_MeO_SP

1 1
C                     1.84292   1.05698  -0.03889 
C                     3.30649   2.74653  -0.37871 
C                     2.27445   3.24501   0.35144 
H                     4.1977    3.22205  -0.75774 
H                     2.10034   4.23331   0.74743 
N                     3.02282   1.40577  -0.60532 
N                     1.38664   2.19376   0.54309 
C                     0.16592   2.26674   1.36381 
H                     0.42255   1.97434   2.38958 
H                    -0.15277   3.3107    1.38296 
C                    -0.95047   1.39136   0.84317 
C                    -2.09472   1.92573   0.33553 
C                    -0.81694  -0.0491    0.92024 
C                    -3.19269   1.10232  -0.09363 
H                    -2.24235   2.99756   0.25434 
C                    -1.89109  -0.85998   0.37998 
H                    -0.42641  -0.44256   1.87108 
C                    -3.09128  -0.30525  -0.08304 
O                    -4.05686  -1.08305  -0.64737 
O                    -4.22002   1.81491  -0.53319 
O                    -1.6963   -2.1753    0.33158 
C                    -5.49818   1.25335  -0.9046 
H                    -5.92273   0.68939  -0.07116 
H                    -6.11717   2.12304  -1.12239 
H                    -5.39972   0.61601  -1.78183 
C                    -4.70941  -2.02167   0.22736 
H                    -5.44384  -2.53817  -0.39106 
H                    -3.99261  -2.73994   0.63181 
H                    -5.21666  -1.49344   1.04391 
C                    -0.33392  -2.47499  -0.1035 
H                    -0.39773  -2.66685  -1.18319 
H                    -0.01499  -3.36478   0.44022 
C                     3.83197   0.51002  -1.44664 
H                     4.87728   0.81161  -1.33011 
H                     3.54959   0.67253  -2.49183 
Pd                    0.86861  -0.78161  -0.04171 
C                     3.67837  -0.96428  -1.07255 
H                     4.18801  -1.55777  -1.84064 
H                     2.60883  -1.26455  -1.1913 
C                     4.20423  -1.33546   0.31857 
H                     3.91599  -0.56531   1.04315 
C                     3.68877  -2.69474   0.79283 
H                     3.9317   -3.49058   0.07964 
H                     4.11654  -2.96652   1.76229 
H                     2.59428  -2.67119   0.90846 
H                     5.30078  -1.3394    0.28407 

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


