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

single point

0 1
 C                  2.36652800    2.88360000   -0.16988700
 C                  1.77349100    1.59776300   -0.11771900
 C                  2.59748200    0.47719400   -0.02273400
 C                  4.56517700    1.91436200   -0.03669000
 H                  2.17719400   -0.52331100    0.02390900
 H                  5.64618500    2.02292600   -0.00418400
 C                  0.28256300    1.78266300   -0.20007300
 C                 -0.55272400    0.71104200   -0.26404900
 C                  1.30205500    3.86727300   -0.24860400
 H                  1.47824600    4.93579700   -0.28117000
 C                  0.07959200    3.26808900   -0.25217700
 C                 -1.81207700    3.98801700    1.22510400
 H                 -1.14826800    4.52234800    1.91592100
 H                 -2.79763700    4.46834600    1.25404400
 H                 -1.92233900    2.96107500    1.58519100
 C                 -1.08773500    5.48824200   -0.66977800
 H                 -2.07476900    5.96340200   -0.70014000
 H                 -0.46284400    6.07431600    0.01472000
 H                 -0.64570600    5.54938900   -1.67039200
 P                  0.11622600   -3.64460700   -0.03214700
 C                 -1.13044000   -4.53799800    0.97952400
 H                 -0.90867700   -5.61009200    1.00421000
 H                 -1.12284200   -4.14092600    1.99865000
 H                 -2.12441100   -4.38162600    0.55077000
 C                  1.73095900   -4.11256600    0.70832300
 H                  1.83642800   -5.20168300    0.74638000
 H                  2.54122500   -3.68898200    0.10798500
 H                  1.79667600   -3.70466800    1.72104200
 C                  0.08916600   -4.50308300   -1.65638700
 H                 -0.88328200   -4.34757600   -2.13217400
 H                  0.86572400   -4.08349700   -2.30231500
 H                  0.26403200   -5.57615900   -1.52599200
 Au                -0.21776500   -1.33206200   -0.15897700
 C                  3.98943100    0.64041700    0.02006500
 H                  4.62539300   -0.23752800    0.09979500
 C                  3.75169200    3.04817700   -0.13337900
 H                  4.18804100    4.04314600   -0.17702400
 Br                -2.51855100    0.98704200   -0.51330200
 C                 -1.22743500    4.03003600   -0.20379600
 H                 -1.94240100    3.54521300   -0.87380900

-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




