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

single point

1 1
 C                  2.66489600    1.75089900   -0.05894400
 C                  1.98540900    0.57406400    0.29979800
 C                  2.69311700   -0.63157000    0.38831100
 C                  4.71943400    0.52307900   -0.29832700
 H                  2.19282500   -1.54301700    0.70056800
 H                  5.78107200    0.49539200   -0.52678200
 C                  0.54680000    0.87264900    0.52589000
 C                 -0.44328300   -0.04662900    0.44831600
 C                  1.74465700    2.94725100   -0.06291100
 H                  1.51984000    3.26695700   -1.08606800
 H                  2.17869300    3.80475000    0.45580500
 C                 -0.72110900    2.35780400    2.89835500
 H                 -0.45081700    2.82655700    3.85191000
 H                 -1.80183900    2.51155000    2.77050900
 H                 -0.53026400    1.28431300    2.92353700
 C                  0.16080000    4.52044300    1.93993600
 H                 -0.70781800    4.95608800    2.44386600
 H                  1.02851500    4.69942600    2.59374000
 H                  0.33732800    5.03161000    0.99207800
 P                 -0.29095900   -4.40388300   -0.20132600
 C                 -1.22421400   -5.39361900    1.03297400
 H                 -1.12867200   -6.46271000    0.81671300
 H                 -0.83155300   -5.18827400    2.03293500
 H                 -2.27990300   -5.10906600    1.00559500
 C                  1.41284200   -5.08758400   -0.14372200
 H                  1.39643500   -6.16811600   -0.31983000
 H                  2.02462900   -4.60241700   -0.90962400
 H                  1.85289100   -4.88505800    0.83687800
 C                 -0.94734600   -4.95382300   -1.82660000
 H                 -1.99919800   -4.66659500   -1.91079300
 H                 -0.38514500   -4.46734100   -2.62878900
 H                 -0.85657200   -6.04050700   -1.92619200
 Au                -0.37613100   -2.09129800    0.15049600
 C                  4.05604400   -0.64904100    0.08663300
 H                  4.60860200   -1.58156400    0.16208000
 C                  4.02232200    1.73275000   -0.36946900
 H                  4.53421100    2.64906700   -0.65199200
 Br                -2.32161600    0.61227400    0.55814100
 C                  0.00469400    3.04240000    1.80073000
 C                  0.47733900    2.38696300    0.64765200
 H                 -0.48216400    2.82636300   -0.06926700
 O                 -1.27840800    3.50208400   -1.05585400
 H                 -0.75149200    4.32684100   -1.25418000
 C                 -1.62360100    2.82923800   -2.30483800
 O                  0.12483100    5.75907300   -1.30291200
 H                 -2.33161800    2.05602600   -1.99986500
 H                  0.85260300    5.78120500   -1.94667500
 C                 -0.69460400    6.95140400   -1.47530300
 H                 -1.14046600    6.91659200   -2.47891700
 C                 -2.30927400    3.83826300   -3.21984500
 H                 -1.61338900    4.63604300   -3.50716100
 H                 -2.65426600    3.34387400   -4.13382800
 H                 -3.17170100    4.28960400   -2.71974500
 C                 -0.39386600    2.18276100   -2.93400300
 H                  0.07418900    1.47690400   -2.24069600
 H                 -0.68095700    1.63406100   -3.83736000
 H                  0.34254700    2.94344300   -3.22104800
 C                 -1.79554100    6.86849100   -0.42749800
 H                 -1.37026900    6.93186600    0.58014600
 H                 -2.49880100    7.69651100   -0.55880600
 H                 -2.34671600    5.92699000   -0.51447500
 C                  0.17351600    8.19585600   -1.33613000
 H                  0.96606200    8.21250200   -2.09375000
 H                 -0.43309200    9.09858800   -1.46463800
 H                  0.63767700    8.22385500   -0.34410400

-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




