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

single point

1 1
 C                  0.83359500    3.53930000    0.73954700
 C                  0.40917700    2.20280700    0.85825900
 C                  0.68463400    1.48536100    2.03126500
 C                  1.81182900    3.43733400    2.93690200
 H                  0.34326600    0.46079000    2.14644200
 H                  2.35071300    3.91168300    3.75234900
 C                 -0.30136800    1.79848200   -0.37768700
 C                 -0.60748600    0.52234800   -0.72158900
 C                  0.43770200    4.11907800   -0.59399100
 H                  1.31357600    4.21613200   -1.24876800
 H                 -0.00437900    5.11737800   -0.50804600
 C                 -0.56176600    3.08001800   -1.18518300
 H                 -0.35743600    2.90559900   -2.24453700
 C                 -2.01045500    3.53880100   -1.04776200
 C                 -2.75265300    3.78077700   -2.13281600
 H                 -2.36587900    3.62627500   -3.13679000
 H                 -3.77755000    4.13545800   -2.05286000
 C                 -2.54500700    3.72489100    0.35181000
 H                 -1.91857400    4.41109800    0.93567200
 H                 -3.56501600    4.11971600    0.33779400
 H                 -2.55305400    2.77200900    0.89661800
 P                 -0.45801400   -3.27796900    1.52378800
 C                  0.17211300   -4.68432100    0.52586000
 H                  0.27933800   -5.57882500    1.14796500
 H                 -0.52722900   -4.89063900   -0.28971800
 H                  1.13970600   -4.41094400    0.09643800
 C                 -2.06024100   -3.86088200    2.20344200
 H                 -1.92296300   -4.79802100    2.75274500
 H                 -2.46747600   -3.10081200    2.87612200
 H                 -2.76692500   -4.01845200    1.38372500
 C                  0.66235500   -3.19460000    2.97674700
 H                  1.67015300   -2.92771900    2.64536100
 H                  0.30488300   -2.42326600    3.66493500
 H                  0.69097800   -4.15967500    3.49275600
 Au                -0.55490600   -1.26372300    0.34403400
 C                  1.38683100    2.10736600    3.06319400
 H                  1.59515600    1.55877000    3.97758300
 C                  1.53473000    4.15867500    1.77263400
 H                  1.85611800    5.19234100    1.67493500
 H                  1.17870400    0.16887400   -1.07501600
 O                  2.08674600   -0.11213800   -1.44382600
 H                  2.05554400   -1.16623500   -1.58821600
 C                  2.37817200    0.60631600   -2.69166500
 H                  1.56114500    0.45849300   -3.39997000
 H                  2.49122800    1.65704000   -2.43046700
 H                  3.31570400    0.20065100   -3.06800700
 O                  1.98756700   -2.59001600   -1.76154200
 H                  2.84547500   -2.96344200   -2.02968800
 C                  0.95319400   -3.03441000   -2.67786600
 H                  0.02296500   -2.59214600   -2.32015900
 H                  1.16395900   -2.69246600   -3.69529100
 H                  0.88361500   -4.12365900   -2.64622500
 Br                -1.45940200    0.27742700   -2.51842000

-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




