%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 NH3-AuPMeCH3-CH3

1 1
 Au                -0.20893700    1.39553400    1.31183200
 P                  1.93812900    0.77868500    0.41554100
 C                  2.43945300    1.79237400   -1.01955400
 H                  2.49121600    2.84280700   -0.72738300
 H                  3.41593000    1.47035600   -1.38963100
 H                  1.69971700    1.68533100   -1.81518700
 C                  3.33424200    0.90570400    1.58767900
 H                  3.15190100    0.25422500    2.44440300
 H                  4.26625500    0.60991000    1.09952800
 H                  3.42212700    1.93451500    1.94183400
 C                  2.00773200   -0.93806700   -0.20587100
 H                  2.99327200   -1.15175700   -0.62705000
 H                  1.80494800   -1.63262200    0.61144400
 H                  1.24783500   -1.07426900   -0.97796700
 C                 -1.18136000    1.56023200   -0.78871600
 H                 -2.20934100    1.71284000   -0.50872000
 H                 -0.59042700    2.41441200   -1.07854700
 H                 -0.87162100    0.57629600   -1.10380700
 C                 -2.05379500    1.93723900    2.14065100
 H                 -2.82658600    1.19513800    1.91608700
 H                 -1.94407100    2.00495700    3.22988800
 H                 -2.39140400    2.90851400    1.76531200
 N                 -2.10549500    1.72668000   -3.30335700
 H                 -1.38089530    2.14026752   -3.85462884
 H                 -2.89902191    2.29726351   -3.51489778
 H                 -2.44866395    1.06773101   -3.97270093

-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 -Br -I -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd



