%nprocshared=20  
%mem=40GB
#p opt=(calcfc,ts,noeigentest,maxstep=10) freq=noraman b3lyp/genecp
scrf=(smd,solvent=water) nosymm empiricaldispersion=gd3

test of the TS Br-AuPMeCH3-CH3

0 1
 Au                -0.19597200    1.41750400    1.33007100
 P                  1.93632200    0.79158500    0.41957500
 C                  2.45619000    1.84642000   -0.98720000
 H                  2.48476100    2.89248400   -0.66973800
 H                  3.44542000    1.54931000   -1.34938600
 H                  1.73179200    1.74644200   -1.80072300
 C                  3.33165100    0.87094400    1.60640400
 H                  3.13518900    0.20023900    2.44771900
 H                  4.26716100    0.57733900    1.11979900
 H                  3.42776500    1.89129300    1.98848900
 C                  1.99423400   -0.91497400   -0.24828200
 H                  2.98815200   -1.13916300   -0.64800800
 H                  1.75347200   -1.62637100    0.54656400
 H                  1.25439900   -1.01936200   -1.04716500
 C                 -1.21762000    1.51428900   -0.83212500
 H                 -2.22734300    1.72671100   -0.51562900
 H                 -0.57545600    2.32966000   -1.13361100
 H                 -0.93349400    0.49318900   -1.04175800
 C                 -2.02148400    1.97869900    2.17656100
 H                 -2.81061600    1.25220300    1.94987100
 H                 -1.90007500    2.02999500    3.26739100
 H                 -2.34237500    2.96322200    1.81598200
 Br                -2.15235000    1.53737500   -3.47639200

-H -C -N -O -P -B -S -Al -Cl -F -He -Si -As -Se 0
6-311+g*
****
-Au  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



