%nprocshared=20
%mem=46GB
%oldchk=Pd_prdt_ring6.chk
%chk=Pd_prdt_ring4bz_SP.chk
#p b3lyp/genecp empiricaldispersion=gd3bj

Pd_prdt_ring4bz_SP

1 1
C                    -2.15015   0.00697   0.11772 
C                    -2.72254  -1.76997  -1.11684 
C                    -1.61563  -1.23266  -1.70612 
H                    -3.33211  -2.6108   -1.40821 
H                    -1.06278  -1.51896  -2.58628 
N                    -3.02901  -1.00591   0.01289 
N                    -1.30175  -0.1329   -0.92023 
C                    -0.25504   0.86246  -0.77008 
H                    -0.41102   1.74348  -1.39323 
C                     1.1104    0.45339  -0.54574 
C                     2.12314   1.41416  -0.71844 
C                     1.44233  -0.84849  -0.1084 
C                     3.45509   1.10293  -0.46083 
H                     1.89423   2.41175  -1.07854 
C                     2.76488  -1.17111   0.15642 
H                     0.65673  -1.575     0.04908 
C                     3.79681  -0.19855  -0.01516 
O                     5.08327  -0.40864   0.30502 
O                     4.34532   2.10823  -0.61141 
O                     3.17451  -2.37157   0.63052 
C                     5.63798   1.86142  -1.18898 
H                     5.57055   1.12663  -1.99831 
H                     5.95577   2.82272  -1.59574 
H                     6.34755   1.51938  -0.4349 
C                     5.74494  -1.66307   0.04709 
H                     6.80308  -1.41017  -0.03292 
H                     5.58201  -2.36091   0.86773 
H                     5.39334  -2.10052  -0.89087 
C                     2.19483  -3.37345   0.88269 
H                     2.74485  -4.236     1.25838 
H                     1.47556  -3.03764   1.63942 
H                     1.66438  -3.64781  -0.03719 
C                    -4.19849  -1.20405   0.88534 
H                    -3.86543  -1.02951   1.91115 
H                    -4.48526  -2.25577   0.79764 
Pd                   -1.09382   1.43274   1.08596 
C                    -5.361    -0.27989   0.51674 
H                    -5.03452   0.76162   0.63456 
H                    -6.15372  -0.44548   1.25733 
C                    -5.91586  -0.49968  -0.89432 
H                    -6.21511  -1.55155  -1.00634 
C                    -7.10954   0.40989  -1.19658 
H                    -6.82955   1.46682  -1.11798 
H                    -7.48948   0.23861  -2.2085 
H                    -7.93126   0.22903  -0.49456 
H                    -5.12463  -0.32014  -1.63439 
 
C H O N
cc-pVTZ
****
@/home/eapaloo/electrocyreact/cc-pVTZ_Pd_Basis_set.gbs/N


