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

single point

1 1
 C                  1.65751100    3.08324500    1.49185400
 C                  1.30506000    1.81404800    1.00272000
 C                  1.42705900    0.69671100    1.84164600
 C                  2.25225400    2.13354200    3.62097300
 H                  1.14742900   -0.29056700    1.48669100
 H                  2.61504500    2.24905600    4.63835800
 C                  0.81711200    1.91896000   -0.39052000
 C                  0.47850200    0.89466000   -1.20122800
 C                  1.47651100    4.15306100    0.44788100
 H                  2.43938500    4.54614800    0.10386300
 H                  0.90549300    5.01189300    0.81616500
 C                  0.76938100    3.41718600   -0.75059800
 H                  1.30890400    3.60433300   -1.68236000
 C                 -0.62850700    3.95119800   -0.88592100
 C                 -0.91547100    4.97009800   -1.78795900
 H                 -0.23953400    5.11874700   -2.63023000
 H                 -1.96347200    5.20507500   -1.97775000
 H                 -0.57445100    5.94370300   -0.99483700
 C                 -1.65005100    3.48115500    0.08921600
 H                 -1.23027600    3.40583800    1.09876400
 H                 -2.54598700    4.10488400    0.09248400
 H                 -1.93044600    2.45959100   -0.20216300
 P                  0.58234600   -3.47661000   -0.66643300
 C                  0.47733700   -4.44626900   -2.22302800
 H                  0.51492800   -5.51892100   -2.00638800
 H                 -0.45988900   -4.21070600   -2.73534500
 H                  1.31172700   -4.17728800   -2.87693800
 C                 -0.77551600   -4.13977500    0.37844800
 H                 -0.67938500   -5.22553100    0.48281100
 H                 -0.73361200   -3.67466100    1.36754700
 H                 -1.73938500   -3.90173100   -0.08030100
 C                  2.11382000   -4.07761200    0.15029700
 H                  2.98299800   -3.79582400   -0.45065300
 H                  2.20432900   -3.61346800    1.13667600
 H                  2.08408300   -5.16637600    0.26159000
 Au                 0.52195000   -1.15286900   -0.95507900
 C                  1.90188700    0.86365000    3.14250700
 H                  1.99321600   -0.00153400    3.79358600
 C                  2.12802700    3.25180700    2.79263600
 H                  2.39393000    4.24101500    3.15646200
 Br                -0.21529100    1.43908500   -2.99458100
 O                 -0.16341800    7.02719000   -0.26166400
 H                  0.55581100    7.45391000   -0.82416800
 C                 -1.21004000    8.01130300    0.01718800
 H                 -1.99311400    7.43226900    0.51561000
 O                  1.76330700    7.96034300   -1.81338100
 H                  1.99741900    8.89580300   -1.68030700
 C                  2.95008700    7.15385300   -1.56885400
 H                  2.59353600    6.13029800   -1.72870900
 C                 -1.73994200    8.60543200   -1.28360500
 H                 -2.54134800    9.32016600   -1.07104200
 H                 -0.94341900    9.13352000   -1.82033400
 H                 -2.14012500    7.82524100   -1.93864200
 C                 -0.64063200    9.05000900    0.97585000
 H                 -1.42283100    9.75674900    1.27175600
 H                 -0.24420000    8.56773600    1.87417300
 H                  0.16694800    9.61581500    0.49663000
 C                  3.41778700    7.32147700   -0.12579500
 H                  4.24984800    6.64290600    0.09070900
 H                  3.76356500    8.34787900    0.04885100
 H                  2.60321000    7.10742000    0.57341200
 C                  4.02450000    7.48421300   -2.59768700
 H                  4.88453300    6.81689200   -2.47764700
 H                  3.63180200    7.37139900   -3.61268100
 H                  4.37633000    8.51577600   -2.47081200

-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




