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

single point

0 1
 C                  2.35359100    2.72393400   -0.48448200
 C                  1.72639200    1.60315200    0.09225800
 C                  2.50180900    0.55919500    0.60629800
 C                  4.51305000    1.73102100   -0.09839100
 H                  2.03214200   -0.29084100    1.09242500
 H                  5.59680300    1.77413700   -0.16684100
 C                  0.24749100    1.79573500    0.01210500
 C                 -0.61235100    0.75961800   -0.14654300
 C                  1.32256400    3.75002500   -0.90737300
 H                  1.17582900    3.72431800   -1.99854000
 H                  1.62508100    4.76835400   -0.64658800
 C                  0.07643000    3.27045000   -0.15810100
 C                 -1.82047300    3.60221000    1.46827300
 H                 -1.77925200    4.26644500    2.34315000
 H                 -2.84891100    3.63993200    1.08648400
 H                 -1.62349700    2.57965300    1.79833100
 C                 -0.87326500    5.56417900    0.18962000
 H                 -1.89962400    5.86681200   -0.05985800
 H                 -0.59768600    6.12337500    1.09532100
 H                 -0.22534400    5.89147200   -0.62664000
 P                  0.10113500   -3.58550400   -0.01171200
 C                 -1.26102500   -4.59062900    0.70320800
 H                 -0.99126100   -5.65199400    0.71048000
 H                 -1.45913000   -4.25824000    1.72621800
 H                 -2.16773900   -4.44949300    0.10809600
 C                  1.57519000   -4.04954400    0.98361600
 H                  1.72575700   -5.13406900    0.96554200
 H                  2.45962500   -3.55222100    0.57497500
 H                  1.43452100   -3.71882900    2.01671500
 C                  0.41034700   -4.34861300   -1.65484800
 H                 -0.46462100   -4.20074000   -2.29425100
 H                  1.27182200   -3.86468800   -2.12387900
 H                  0.60737500   -5.42053900   -1.54819900
 Au                -0.29330200   -1.27746700   -0.07212000
 C                  3.89509200    0.62974100    0.50583400
 H                  4.50299900   -0.17430700    0.91289600
 C                  3.73949800    2.78819300   -0.59338700
 H                  4.21659400    3.65447800   -1.04572500
 Br                -2.49197800    1.19567100   -0.68385400
 C                 -0.82559600    4.07455500    0.43926700

-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




