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

single point

1 1
 C                  3.36676400    0.43344400   -1.02790300
 C                  2.38667900   -0.22479000   -0.27152600
 C                  2.63290300   -1.51613200    0.20504300
 C                  4.78695400   -1.49961400   -0.92708800
 H                  1.91442900   -2.02270500    0.84135000
 H                  5.71552200   -2.00367000   -1.17907000
 C                  1.19787500    0.67522600   -0.11492500
 C                 -0.06490300    0.16804300    0.05878200
 C                  2.93095200    1.84369700   -1.32537200
 H                  2.67658800    1.98215100   -2.38722400
 H                  3.69928000    2.58575900   -1.08812300
 C                  1.69056700    2.01656700   -0.46748000
 C                  0.49925200    3.48098000    1.24479400
 H                  1.19602800    3.97939700    1.93037800
 H                 -0.37607300    4.12764100    1.13793400
 H                  0.19340300    2.54082200    1.70274600
 C                  2.07282800    4.50787600   -0.46254200
 H                  1.48202500    5.41682100   -0.31212800
 H                  2.95521100    4.57605400    0.18562200
 H                  2.41292400    4.49718100   -1.50135000
 P                 -1.33952800   -4.04196700    0.40993000
 C                 -2.86222300   -4.31089700    1.39974900
 H                 -3.10775100   -5.37721100    1.43692200
 H                 -2.70627600   -3.93727600    2.41572300
 H                 -3.69227600   -3.76145700    0.94665700
 C                 -0.07578900   -5.11678700    1.19701800
 H                 -0.42623000   -6.15345500    1.23535300
 H                  0.85268600   -5.06606500    0.62093000
 H                  0.12154900   -4.76122800    2.21235000
 C                 -1.68775800   -4.84528000   -1.20403500
 H                 -2.50117000   -4.31520600   -1.70741600
 H                 -0.79508700   -4.79907200   -1.83401500
 H                 -1.97264000   -5.89129000   -1.05144400
 Au                -0.66573100   -1.80852900    0.23782000
 C                  3.83327700   -2.14746100   -0.13255200
 H                  4.03154900   -3.14891000    0.23931600
 C                  4.55947900   -0.19335400   -1.37272200
 H                  5.30663500    0.32791400   -1.96510900
 Br                -1.63146600    1.34286700   -0.05420900
 C                  1.22654700    3.28403900   -0.09005200
 H                  0.29126700    3.38947800   -1.03424700
 O                 -0.68329700    3.87497900   -1.83784500
 H                 -1.24829400    4.43379400   -1.22234100
 C                 -0.28610800    4.67153400   -2.99963700
 O                 -2.13150900    5.32868700   -0.14370000
 H                  0.35042800    5.49239900   -2.64783500
 H                 -2.36292600    6.20616900   -0.49454000
 C                 -3.35407400    4.66978400    0.29934000
 H                 -2.98349100    3.81743100    0.87659800
 C                 -4.15359200    4.17248300   -0.90082100
 H                 -5.03182800    3.60961600   -0.56711400
 H                 -4.49976700    5.01607800   -1.51056800
 H                 -3.54102200    3.51829600   -1.52976000
 C                 -4.14098800    5.60128700    1.21226200
 H                 -5.01353100    5.08291900    1.62299200
 H                 -3.51613900    5.94622200    2.04184200
 H                 -4.50099700    6.47619000    0.65562300
 C                 -1.54766900    5.22964300   -3.64873500
 H                 -2.10127800    5.86957600   -2.95450200
 H                 -1.28029700    5.83067300   -4.52378400
 H                 -2.20360200    4.41348700   -3.96887400
 C                  0.49661200    3.75408300   -3.92401900
 H                  0.79316800    4.29861300   -4.82553900
 H                  1.40522600    3.38228300   -3.44152300
 H                 -0.11922800    2.89694000   -4.21559200

-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




