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

single point

1 1
 C                  2.27989800    1.89067400   -0.84920200
 C                  1.66843400    0.79825200   -0.20748300
 C                  2.45506500   -0.24846300    0.28583000
 C                  4.44073600    0.87251800   -0.55895200
 H                  2.00017800   -1.07584700    0.82199000
 H                  5.51923000    0.89537900   -0.68820500
 C                  0.19769100    1.01598600   -0.17091600
 C                 -0.71248000    0.01957800   -0.14747400
 C                  1.24297700    2.91657600   -1.24561500
 H                  0.99875500    2.82884900   -2.31228700
 H                  1.56600200    3.94767600   -1.07637800
 C                 -0.00301100    2.52119300   -0.40329800
 H                 -0.93346500    2.70098000   -0.94784400
 C                  1.15078400    3.27533400    1.79921700
 H                  2.03478600    3.63962200    1.27166900
 H                  1.01283800    3.85290400    2.71701000
 H                  1.33204300    2.23719600    2.08653600
 C                 -1.35524600    3.00566000    1.73183500
 H                 -1.31727000    1.96016600    2.04703200
 H                 -1.41667300    3.62835700    2.62908200
 H                 -2.25553300    3.13967300    1.12869500
 P                 -0.15299200   -4.34510100    0.10141300
 C                 -1.06128300   -5.16655300    1.47106200
 H                 -0.85014400   -6.24095700    1.47784800
 H                 -0.75316500   -4.72923100    2.42511900
 H                 -2.13566900   -5.00721600    1.34266500
 C                  1.59912200   -4.83160800    0.36380300
 H                  1.69033000   -5.92184100    0.40680500
 H                  2.21049800   -4.44697800   -0.45745800
 H                  1.95948100   -4.39908200    1.30164800
 C                 -0.66293000   -5.26945300   -1.40204800
 H                 -1.72677100   -5.09888100   -1.58981900
 H                 -0.09257600   -4.90810100   -2.26253700
 H                 -0.48331900   -6.34153000   -1.26948200
 Au                -0.46479800   -2.02747400   -0.02216300
 C                  3.84015800   -0.20544600    0.10252800
 H                  4.45707600   -1.01102500    0.49156600
 C                  3.65845100    1.93140200   -1.03479600
 H                  4.12269600    2.77923600   -1.53234600
 C                 -0.09826800    3.31614100    0.93138800
 O                 -0.23387400    4.76726500    0.41762700
 C                 -0.11721900    5.89930400    1.33522900
 H                 -0.77096700    5.76339600    2.19740900
 H                  0.92521400    5.97940500    1.63374600
 H                 -0.41375900    6.77401300    0.75700300
 H                 -1.11768400    4.85487300   -0.15805900
 O                 -2.30012700    4.90127600   -0.96847100
 C                 -2.09036100    5.31079900   -2.34280300
 H                 -1.79920000    6.36368100   -2.39737600
 H                 -1.28769500    4.68118000   -2.72777300
 H                 -3.00217800    5.13539500   -2.91791800
 H                 -3.02416200    5.41740200   -0.57422600
 Br                -2.63417300    0.53993300   -0.35366600

-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




