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

single point

0 1
 C                  1.96025300    3.05176800   -0.49786200
 C                  1.49730400    1.77893000   -0.11564600
 C                  2.41272700    0.81659800    0.33251700
 C                  4.22863500    2.39241500   -0.02425900
 H                  2.06817100   -0.15868800    0.66389900
 H                  5.28954600    2.62428400    0.01730200
 C                  0.02171400    1.72780000   -0.24624700
 C                 -0.72684400    0.60629100   -0.22391200
 C                  0.81731100    3.93224500   -0.93884800
 H                  0.80666400    4.02979200   -2.03275200
 H                  0.88627700    4.94572500   -0.52910600
 C                 -0.45511700    3.16931300   -0.44497700
 H                 -1.23417200    3.20358500   -1.21362300
 C                 -1.01718400    3.81902300    0.81653200
 C                 -0.76542700    3.36929700    2.04976600
 H                 -1.15276600    3.88231300    2.92679700
 H                 -0.17866200    2.47250200    2.22560500
 C                 -1.85699200    5.04720200    0.56403200
 H                 -2.75765700    4.78237400   -0.00694000
 H                 -2.16978100    5.52777900    1.49630200
 H                 -1.31282900    5.78794200   -0.03731200
 P                  0.33241400   -3.65379300    0.10272700
 C                 -0.93252100   -4.71807100    0.90530600
 H                 -0.58424500   -5.75523500    0.95364700
 H                 -1.12664600   -4.35136300    1.91732300
 H                 -1.86320800   -4.67303100    0.33244600
 C                  1.86101100   -3.95398600    1.07819100
 H                  2.08706700   -5.02468300    1.11808200
 H                  2.69699900   -3.42271400    0.61400600
 H                  1.72471200   -3.57222500    2.09403800
 C                  0.65997700   -4.47770100   -1.50692200
 H                 -0.23706000   -4.42757900   -2.13053700
 H                  1.47348400   -3.95858100   -2.02177700
 H                  0.93715700   -5.52530000   -1.34988100
 Au                -0.24244800   -1.38893800   -0.06445200
 C                  3.77329500    1.12775200    0.37088300
 H                  4.48362200    0.38437100    0.72373000
 C                  3.31777200    3.36153000   -0.45726400
 H                  3.66429400    4.34859100   -0.75435700
 Br                -2.70605300    0.90063500   -0.40621200

-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




