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

test of the AuPMeCH3

0 1
 Au                -0.29566200    1.38453500    1.20191600
 P                  1.76719700    1.02574900    0.09569700
 C                  2.23873200    2.33091600   -1.09901600
 H                  2.32200800    3.28821400   -0.58081600
 H                  3.19595200    2.08981500   -1.56844400
 H                  1.47043000    2.41755200   -1.86978500
 C                  3.22460000    0.90893200    1.19775900
 H                  3.08854000    0.08399400    1.89971700
 H                  4.13210300    0.73928200    0.61264000
 H                  3.32918800    1.83554800    1.76544900
 C                  1.85059300   -0.51317200   -0.89273000
 H                  2.83034300   -0.60865200   -1.36776800
 H                  1.67817000   -1.37419100   -0.24407000
 H                  1.07626200   -0.49576600   -1.66221300
 C                 -2.12697200    1.70046800    2.18304700
 H                 -2.82689400    0.87160200    2.01558600
 H                 -1.99609000    1.79716100    3.26860200
 H                 -2.62326700    2.61595100    1.83579700

-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



