%nprocshared=28
%mem=120GB
#p opt=(calcfc,ts,modredundant,noeigentest,maxstep=5) freq=noraman
b3lyp/genecp scrf=(smd,solvent=water) nosymm empiricaldispersion=gd3

test of the TS Br-Rhcomplex

0 1
 C                 -1.51451300    1.39635500   -1.12513700
 H                 -2.43939500    1.57676500   -0.60491900
 H                 -0.88852400    2.22357600   -1.40689900
 H                 -1.15122700    0.39116600   -1.23844900
 Rh                -0.33711600    1.42651900    1.13065300
 N                  0.56516900   -0.32705900    0.67874100
 N                 -1.73977700    0.13148100    1.64796500
 N                 -1.34999200    3.10053600    1.40763500
 N                  0.97273000    2.79418300    0.42067300
 C                 -0.15478700   -1.38679600    0.88914900
 C                  1.91198600   -0.29210900    0.10348600
 C                 -1.52672000   -1.13117200    1.42212500
 O                 -2.97196900    0.54516100    2.07021300
 C                 -0.83005300    4.21288800    0.97931300
 O                 -2.63824800    3.08780200    1.86358800
 C                  0.54957200    4.02176300    0.43968800
 C                  2.25254600    2.32496400   -0.11648000
 C                  0.27096800   -2.79669700    0.63181600
 H                  2.62631700   -0.28127100    0.93439500
 H                  2.10815100   -1.18609000   -0.49042800
 C                  2.13855900    0.94324700   -0.78957600
 C                 -2.53544000   -2.20566000    1.68273200
 B                 -3.00202300    1.90313100    2.71529800
 C                 -1.53195100    5.53382500    1.03099500
 C                  1.31063000    5.21663600   -0.03885400
 H                  2.65270100    3.03010000   -0.84649800
 H                  2.96146200    2.27077500    0.71731600
 H                 -0.24875700   -3.19309700   -0.24677900
 H                  1.34279400   -2.88105800    0.46856900
 H                  0.00075200   -3.43231600    1.47811200
 H                  3.09297700    0.77657600   -1.29867400
 H                  1.37381100    0.97695100   -1.57031400
 H                 -2.36669700   -3.03675500    0.99587200
 H                 -3.53071200   -1.81013100    1.47055300
 C                 -2.47256900   -2.70288300    3.13749500
 F                 -2.18690800    1.88956500    3.86317800
 F                 -4.34591600    2.10557500    3.03603000
 H                 -1.17085500    6.16884900    0.22015800
 H                 -2.59785400    5.36982100    0.86039200
 C                 -1.32413300    6.23733000    2.38338200
 H                  0.89050100    5.57762300   -0.98350700
 H                  1.22381400    6.03181400    0.68310000
 H                  2.36628200    5.00206800   -0.18830000
 H                 -3.21579500   -3.48762000    3.29956200
 H                 -1.48754200   -3.11345900    3.37307500
 H                 -2.67738600   -1.88828200    3.83639800
 H                 -0.26445900    6.42743000    2.57161400
 H                 -1.84874400    7.19606300    2.39341600
 H                 -1.71128700    5.62732900    3.20311900
 Br                -2.71126715    1.38190654   -3.23995868

B 1 5 B
B 1 50 B 

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



