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

single point

1 1
 C                  2.77374800    0.48786800    0.28484200
 C                  1.66081500   -0.25998800   -0.16262000
 C                  1.83497300   -1.59849100   -0.55888300
 C                  4.19053600   -1.46063600   -0.05792300
 H                  0.97681700   -2.16445800   -0.90970700
 H                  5.17380100   -1.91954600   -0.01162600
 C                  0.33702400    0.36336800   -0.19188500
 C                 -0.09057400    1.57603600   -0.26358300
 C                  2.60268100    1.93369700    0.68365500
 H                  2.03670600    1.99499400    1.62172000
 H                  3.58667800    2.37544100    0.88301300
 C                  1.91031500    2.73031400   -0.40426100
 H                  2.08662100    2.37926300   -1.42048500
 C                  1.39836900    3.98984300   -0.26583800
 C                  1.21829700    4.67491800    1.05401300
 H                  0.16339700    4.94801300    1.19048200
 H                  1.78498000    5.61545200    1.06027300
 H                  1.53660300    4.07401100    1.90711300
 C                  0.96308700    4.77085000   -1.46979300
 H                  1.58326400    5.67262200   -1.56623300
 H                 -0.07203200    5.11664600   -1.35445400
 H                  1.04204700    4.19292400   -2.39429400
 P                 -3.17023800   -2.40322400    0.20794800
 C                 -4.05303100   -2.28831200    1.81107000
 H                 -4.85533800   -3.03251000    1.84902700
 H                 -4.47857000   -1.28734100    1.92346000
 H                 -3.34889500   -2.46749400    2.62819400
 C                 -4.46730200   -2.21958400   -1.07453900
 H                 -5.25831000   -2.95930900   -0.91314200
 H                 -4.02434600   -2.36822800   -2.06309200
 H                 -4.89193400   -1.21320800   -1.02453500
 C                 -2.61132500   -4.14481300    0.08557900
 H                 -1.88504000   -4.34955900    0.87682400
 H                 -2.13312000   -4.30601300   -0.88442400
 H                 -3.46522700   -4.82215700    0.18873700
 Au                -1.42531300   -0.88878600   -0.00802000
 C                  3.09239800   -2.19465800   -0.51272900
 H                  3.21327800   -3.22677700   -0.82751700
 C                  4.02581600   -0.13005500    0.33222800
 H                  4.88350700    0.44180700    0.67664900
 Br                -1.56129600    2.67372200   -0.21892200

-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




