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

Pd complexes nucleophiles

0 1
 Pd                 0.08123700    0.42626300    0.07697900
 P                  0.08484700   -1.88008200    0.02831100
 P                 -0.00515500    2.73155500    0.04587800
 C                  0.08579637   -2.45041214   -1.70001843
 H                  0.09005970   -3.52016548   -1.72259291
 H                 -0.78970027   -2.08668308   -2.19610995
 H                  0.95758788   -2.07969168   -2.19745779
 C                 -1.40022559   -2.50703824    0.87322833
 H                 -1.39709586   -3.57684576    0.85317681
 H                 -1.40224472   -2.16934287    1.88853999
 H                 -2.27442797   -2.14352105    0.37470506
 C                  1.57181833   -2.50238832    0.87332645
 H                  1.57318894   -3.57216026    0.85127817
 H                  2.44491093   -2.13428115    0.37622845
 H                  1.57156316   -2.16658480    1.88926736
 C                 -1.51285370    3.27052696   -0.81942764
 H                 -1.55374436    4.33966635   -0.83242399
 H                 -1.49872508    2.90190366   -1.82382659
 H                 -2.37248561    2.88687883   -0.31075575
 C                 -0.02787213    3.36088852    1.75345618
 H                  0.85663395    3.04069220    2.26338099
 H                 -0.06393136    4.43018347    1.73903250
 H                 -0.88967470    2.98178249    2.26186050
 C                  1.45710944    3.38180759   -0.82092895
 H                  1.41945372    4.45109563   -0.83118274
 H                  2.34364404    3.06097494   -0.31494199
 H                  1.46791311    3.01564339   -1.82626822

-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



