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

single point

1 1
 C                 -3.19236900    0.23193200    6.66814800
 C                 -2.06864600    1.01778100    6.23631800
 C                 -2.19351100    2.45070200    6.21929700
 C                 -3.45816600    3.10655700    6.34639500
 C                 -1.02888800    3.25105900    6.04133600
 H                 -0.06805400    2.75379800    5.95141900
 C                 -2.35221400    5.25563500    6.11621100
 H                 -2.42298600    6.33847100    6.07228300
 C                 -4.73523100    2.32149800    6.49588100
 H                 -5.25465400    2.32279800    5.52852000
 H                 -5.40300500    2.83797600    7.19700200
 C                 -4.56239900    0.89102600    6.95219000
 H                 -5.40607500    0.25153100    6.70651100
 C                 -3.79405500    0.46998800    8.14967900
 C                 -4.25128300   -0.78645500    8.87565300
 H                 -3.39240800   -1.34779100    9.25763700
 H                 -4.85421300   -1.44831800    8.25268700
 H                 -4.86285900   -0.47668900    9.73085100
 C                 -3.11347100    1.43936900    9.10227100
 H                 -3.85165900    1.74727800    9.85146000
 H                 -2.72606800    2.34351900    8.63694000
 H                 -2.29216900    0.93787600    9.62452500
 Au                -0.30079700    0.07216500    5.68221800
 P                  1.70706200   -1.00950400    5.11748400
 C                  3.20493300    0.03016300    5.32437800
 H                  3.11913500    0.91997300    4.69430000
 H                  4.09994500   -0.53256300    5.04032800
 H                  3.28912700    0.34427500    6.36862400
 C                  1.76880900   -1.58168100    3.37426300
 H                  0.94064400   -2.27108800    3.18745600
 H                  2.71839800   -2.08984700    3.17715600
 H                  1.66983100   -0.72257200    2.70489500
 C                  2.03295600   -2.51297500    6.11868900
 H                  2.10059000   -2.23894000    7.17535000
 H                  2.96979500   -2.98378900    5.80366800
 H                  1.20875700   -3.22017100    5.99080800
 Br                -3.22503600   -1.61289300    5.96315200
 C                 -1.10187900    4.63203900    6.00193200
 H                 -0.20248400    5.22545200    5.87533500
 C                 -3.51274600    4.49719100    6.28467400
 H                 -4.47348700    4.99654100    6.37237100

-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




