%nprocshared=12
%mem=20GB
#p opt freq=noraman b3lyp/genecp scrf=(smd,solvent=water) nosymm
empiricaldispersion=gd3

Pd complexes electrophiles

1 1
 Pd                 0.16688800    0.42918200    0.24417600
 P                  0.12701100   -1.91019700    0.25241700
 P                  0.13754000    2.78483400    0.01484200
 C                  2.04536100    0.50328300    1.04289100
 H                  2.66242500    1.09892400    0.36891300
 H                  1.94369800    0.99434500    2.01216000
 H                  2.47144600   -0.49103400    1.16009000
 C                  1.40994567    3.43484530   -1.11248631
 H                  1.32306488    4.49962706   -1.17241577
 H                  2.38005727    3.17641872   -0.74235231
 H                  1.27477719    3.01063945   -2.08546056
 C                  0.29836872    3.75881257    1.54386125
 H                  1.27931871    3.62575430    1.94998022
 H                  0.14019696    4.79427418    1.32545582
 H                 -0.42985643    3.42902272    2.25507626
 C                 -1.46758200    3.25875280   -0.70026941
 H                 -1.54284426    2.87228352   -1.69519508
 H                 -2.25765681    2.85700626   -0.10086845
 H                 -1.54591516    4.32559112   -0.72516716
 C                 -1.25157968   -2.37906258   -0.83939471
 H                 -1.32905886   -3.44555089   -0.87812026
 H                 -2.16351294   -1.96879496   -0.45866095
 H                 -1.07265699   -1.99849351   -1.82329199
 C                  1.60301529   -2.73534899   -0.42058786
 H                  2.42595447   -2.59606314    0.24894225
 H                  1.40714721   -3.78132643   -0.53224308
 H                  1.84370458   -2.31377400   -1.37413030
 C                 -0.23118688   -2.71254097    1.84626092
 H                 -0.31359935   -3.76967923    1.70284930
 H                  0.56122345   -2.50677154    2.53520562
 H                 -1.15177356   -2.33287964    2.23776754

-H -C -N -O -P -B -S -Al -Cl -F -He -Si -As -Se 0
6-311+g*
****
-Pd  0
sdd
****
-Br     0
S   2   1.00
      1.1590000             -3.0378769
      0.7107000              3.3703735
S   1   1.00
      0.1905000              1.0000000
P   2   1.00
      2.6910000             -0.1189800
      0.4446000              1.0424471
P   1   1.00
      0.1377000              1.0000000
P   1   1.00
      0.0376                 1.0
D   1   1.00
      0.4340                 1.0
****

-BR     0
BR-ECP     3     28
f potential
  4
1    213.6143969            -28.0000000
2     41.0585380           -134.9268852
2      8.7086530            -41.9271913
2      2.6074661             -5.9336420
s-f potential
  4
0     54.1980682              3.0000000
1     32.9053558             27.3430642
2     13.6744890            118.8028847
2      3.0341152             43.4354876
p-f potential
  5
0     54.2563340              5.0000000
1     26.0095593             25.0504252
2     28.2012995             92.6157463
2      9.4341061             95.8249016
2      2.5321764             26.2684983
d-f potential
  5
0     87.6328721              3.0000000
1     61.7373377             22.5533557
2     32.4385104            178.1241988
2      8.7537199             76.9924162
2      1.6633189              9.4818270
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd



