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

single point

1 1
 C                  0.74372800    3.73709500    0.77916300
 C                  0.70801900    2.33172000    0.70281300
 C                  1.37197800    1.55614900    1.66784900
 C                  2.07785700    3.59733800    2.77626300
 H                  1.34754500    0.47150400    1.61970400
 H                  2.60749000    4.08121800    3.59204600
 C                 -0.04989700    1.92199800   -0.48952500
 C                 -0.09625900    0.64540900   -0.97748900
 C                  0.01024900    4.36594700   -0.37550300
 H                  0.71516800    4.84877600   -1.06361200
 H                 -0.69597000    5.13919200   -0.05487800
 C                 -0.70239700    3.17277000   -1.07859000
 H                 -0.54191500    3.19754600   -2.15981000
 C                 -2.20793200    3.16875000   -0.81586500
 C                 -3.07341200    3.35694000   -1.81644900
 H                 -2.74293700    3.47823700   -2.84462400
 H                 -4.14562900    3.39156700   -1.63886200
 C                 -2.65104300    2.97056200    0.61357300
 H                 -2.16753400    3.68641300    1.29037400
 H                 -3.73432400    3.08431300    0.71224900
 H                 -2.37802300    1.96854000    0.97080600
 P                 -0.69455400   -3.03926600    1.44142000
 C                 -0.29863800   -4.55567800    0.48640000
 H                 -0.40853200   -5.44445000    1.11622800
 H                 -0.97377400   -4.63032900   -0.37073700
 H                  0.72860100   -4.48433400    0.11859300
 C                 -2.40941300   -3.28183800    2.04486000
 H                 -2.48368700   -4.21833200    2.60704400
 H                 -2.68842000   -2.44534400    2.69163100
 H                 -3.09442900   -3.31193800    1.19310100
 C                  0.35449900   -3.14395600    2.94330900
 H                  1.40833000   -3.09805200    2.65408000
 H                  0.13293800   -2.30064800    3.60343400
 H                  0.16208100   -4.08258900    3.47319000
 Au                -0.35845800   -1.10254500    0.20982600
 C                  2.05394300    2.19534000    2.69897600
 H                  2.56508300    1.60507400    3.45399400
 C                  1.42550000    4.37316700    1.81613300
 H                  1.44857500    5.45785000    1.87500900
 H                  1.28424700    0.18967800   -1.17902400
 O                  2.36880600   -0.14848100   -1.45343000
 H                  2.31378400   -1.16328200   -1.54946400
 C                  2.82193000    0.47966700   -2.68509800
 H                  2.17776000    0.19241800   -3.51934400
 H                  2.77373600    1.55620500   -2.52240700
 H                  3.85348800    0.17220200   -2.86013800
 O                  2.06025800   -2.72085400   -1.61777000
 H                  2.88102700   -3.23687300   -1.68731900
 C                  1.15290000   -3.12917500   -2.66527700
 H                  0.26927300   -2.49715600   -2.56797300
 H                  1.60125700   -2.98342600   -3.65379900
 H                  0.86915900   -4.17710200   -2.53231900
 Br                -0.98204300    0.39838700   -2.75695500

-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




