%nprocshared=20
%mem=40GB
#p opt freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm
empiricaldispersion=gd3

Rh complexes nucleophiles

0 1
 Rh                -0.68330000    0.59451900    0.29652500
 N                 -0.44584700    2.59954100    0.21454800
 N                  1.27670200    0.74230000    0.23096800
 N                 -0.84480600   -1.36087300    0.15599300
 N                 -2.68660100    0.37928200    0.13988200
 C                 -3.10407900   -0.84868900    0.03129000
 C                 -2.03106000   -1.88116500    0.00219000
 C                  1.81276900    1.92846000    0.14709600
 C                  0.78884300    3.00935900    0.17698100
 C                 -1.63914700    3.44850200    0.21356900
 H                 -1.90587100    3.64833800    1.25761900
 H                 -1.43847900    4.40874500   -0.26559100
 C                 -2.83332200    2.79147500   -0.50669700
 H                 -3.60029400    3.56815900   -0.59154500
 H                 -2.54346600    2.53239500   -1.52962500
 C                 -3.52376300    1.58093400    0.15248200
 H                 -4.47084800    1.40711900   -0.36173100
 H                 -3.75249900    1.81479300    1.19842400
 C                  1.23492600    4.43742100    0.14907000
 H                  1.59268300    4.70530000   -0.85091100
 H                  0.43863800    5.12461700    0.42623300
 H                  2.06964500    4.58589100    0.83781400
 C                 -4.53256100   -1.28003900   -0.08049900
 H                 -4.75255500   -1.60267900   -1.10381100
 H                 -4.72138100   -2.13554200    0.57194300
 H                 -5.22647100   -0.48649000    0.18749400
 C                 -2.28331200   -3.34740700   -0.16582200
 H                 -3.19280500   -3.49569400   -0.75091100
 H                 -1.46093600   -3.78234100   -0.73765100
 C                 -2.40853600   -4.06478400    1.18937700
 H                 -3.23389200   -3.65576700    1.77785000
 H                 -2.59526600   -5.13112800    1.03749800
 H                 -1.49049900   -3.95842400    1.77244300
 C                  3.28706000    2.17267400    0.05500000
 H                  3.46922400    3.10470100   -0.48326800
 H                  3.74056000    1.37085100   -0.53137600
 C                  3.94283700    2.23253200    1.44552400
 H                  5.01649700    2.41490300    1.35065800
 H                  3.51382900    3.03586500    2.05002200
 H                  3.80234300    1.29151600    1.98295600
 O                  2.08596600   -0.36399800    0.16501900
 O                  0.25680200   -2.17701100    0.09805400
 B                  1.49624800   -1.62072900    0.73699000
 F                  1.26626800   -1.43959500    2.11697700
 F                  2.47263900   -2.59721300    0.50738100

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



