%nprocshared=20
%mem=41GB
#p b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

single point

1 1
 C                  0.65691900    3.64038000    0.93452400
 C                  1.19320500    2.39560800    0.55418800
 C                  2.27755400    1.82852900    1.24306400
 C                  2.27812500    3.76742400    2.70299400
 H                  2.67126300    0.85678800    0.95940300
 H                  2.70691600    4.29317300    3.55111100
 C                  0.45690200    1.89418800   -0.60236000
 C                  0.88951000    0.87744500   -1.44212100
 C                 -0.45744400    4.05166100    0.00777700
 H                 -0.10210300    4.82149800   -0.68783400
 H                 -1.32150900    4.47144100    0.52932600
 C                 -0.79414400    2.75324700   -0.78562800
 H                 -0.93118400    2.96043400   -1.84969800
 C                 -2.04606300    2.03301600   -0.27292200
 C                 -2.94417900    1.55741900   -1.14351900
 H                 -2.82246100    1.67409000   -2.21640800
 H                 -3.83483500    1.03470800   -0.80413800
 C                 -2.21446000    1.88834400    1.22146500
 H                 -2.34474400    2.86158700    1.70943400
 H                 -3.09138600    1.27785700    1.45407600
 H                 -1.33876400    1.41938500    1.68652300
 P                 -1.02481800   -2.36523600    1.14377000
 C                 -0.72701800   -4.03314200    0.44876000
 H                 -1.20708600   -4.78660400    1.08148200
 H                 -1.14045600   -4.08668600   -0.56190600
 H                  0.34842900   -4.22477300    0.40350100
 C                 -2.84480500   -2.20487500    1.28538000
 H                 -3.24740200   -3.03157700    1.87962400
 H                 -3.08628500   -1.25414500    1.76787000
 H                 -3.29013200   -2.21833200    0.28696400
 C                 -0.40026700   -2.42735500    2.86514700
 H                  0.68133100   -2.58701800    2.85623200
 H                 -0.61500400   -1.47785300    3.36267400
 H                 -0.88619800   -3.24453100    3.40792300
 Au                -0.09431400   -0.64906000   -0.09797300
 C                  2.81327200    2.52367200    2.32098700
 H                  3.64451500    2.10212900    2.87751000
 C                  1.20407900    4.33353500    2.01307800
 H                  0.79992100    5.29570700    2.31352000
 H                  1.92703900    0.55384500   -1.40798100
 Br                 0.15952700    0.64953800   -3.22837500

-C -H -P -O 0
6-311+G(d,p)
****
Au 0
SDD
****
Br 0
LANL2DZ
D 1 1.0
0.428 1.0
****

Au 0
SDD
Br 0
LANL2DZ




