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

single point

1 1
 C                  2.53287300   -0.04975900   -0.09050400
 C                  2.01946600   -0.29042500   -1.39571200
 C                  2.65973500   -1.19356400   -2.27448200
 C                  4.33526800   -1.61116200   -0.59894200
 H                  2.23671100   -1.36056300   -3.25989100
 H                  5.24019500   -2.11930300   -0.27903600
 C                  0.86133200    0.38096800   -1.85704100
 C                 -0.16298700    0.94483600   -2.28874500
 C                  1.84863400    0.89881500    0.87543800
 H                  0.83035400    0.54032700    1.06688700
 H                  2.38018100    0.84433100    1.83479100
 C                  1.83245700    2.32853000    0.38160500
 H                  2.79941600    2.69027300    0.03111700
 C                  0.78654400    3.16753800    0.32820600
 C                 -0.61401300    2.83841700    0.78308200
 H                 -1.31287100    2.88676900   -0.06380000
 H                 -0.95972800    3.57835100    1.51723100
 H                 -0.70902500    1.84922700    1.23680800
 C                  0.94587400    4.56452900   -0.22392900
 H                  0.66470200    5.31844100    0.52405000
 H                  0.28081100    4.71438000   -1.08562200
 H                  1.97220100    4.76640900   -0.54625100
 P                 -2.77990700   -1.41715500    0.50074800
 C                 -3.23238300   -0.39306600    1.95156000
 H                 -3.92387700   -0.94361700    2.59755500
 H                 -3.70784300    0.53046600    1.61022900
 H                 -2.32991400   -0.13888400    2.51422100
 C                 -4.36433500   -1.87497800   -0.29538100
 H                 -5.01984000   -2.35868300    0.43597100
 H                 -4.17105000   -2.56114800   -1.12430700
 H                 -4.85088500   -0.97595700   -0.68336300
 C                 -2.09371800   -2.97397800    1.18212700
 H                 -1.17801700   -2.75548400    1.73844200
 H                 -1.85683600   -3.65633700    0.36148500
 H                 -2.82398300   -3.44291800    1.84931300
 Au                -1.30735900   -0.32396600   -0.91822900
 C                  3.81873600   -1.84720000   -1.87718600
 H                  4.31507000   -2.53512200   -2.55384800
 C                  3.69685200   -0.72679900    0.27603400
 H                  4.11334800   -0.55962300    1.26517300
 Br                -0.93451800    2.30778200   -3.25081800

-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




