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

single point

1 1
 C                  2.49975100    3.04706100    0.04419500
 C                  2.03598600    1.73249200   -0.14899900
 C                  2.92728400    0.65301600   -0.14830300
 C                  4.74790900    2.21526100    0.23562700
 H                  2.56768900   -0.35992800   -0.30471800
 H                  5.80949000    2.39488200    0.37951600
 C                  0.57971300    1.75788400   -0.32477400
 C                 -0.28450400    0.73262800   -0.33777200
 C                  1.36131600    4.04805400    0.04859800
 H                  1.55352300    4.91980200   -0.58330700
 H                  1.18963500    4.41990700    1.06484100
 C                  0.15564600    3.21502100   -0.48427200
 H(Iso=2.014)       0.05018300    3.40882700   -1.55966400
 C                 -1.19736900    3.47928700    0.17207800
 C                 -2.00425500    4.61127300   -0.41486800
 H                 -2.04893600    4.56467700   -1.50529300
 H                 -3.01548500    4.64909900   -0.00272600
 H                 -1.49364700    5.54319500   -0.13378800
 C                 -1.25324700    3.37397500    1.68028600
 H                 -0.79438800    4.28013600    2.09466600
 H                 -2.28492500    3.33568200    2.03580400
 H                 -0.70134700    2.50712400    2.05076100
 P                 -0.09712100   -3.62550900    0.07512500
 C                 -1.09667800   -4.29689900    1.46065200
 H                 -0.97202400   -5.38270800    1.52532800
 H                 -0.77374400   -3.83701900    2.39876400
 H                 -2.15195900   -4.06076800    1.29725700
 C                  1.61461000   -4.19704800    0.41043800
 H                  1.63708700   -5.28606800    0.51949400
 H                  2.26543700   -3.90039000   -0.41686600
 H                  1.97952800   -3.73080400    1.33003900
 C                 -0.63465800   -4.58428100   -1.39507900
 H                 -1.68127000   -4.35637400   -1.61557000
 H                 -0.02343100   -4.30396800   -2.25748400
 H                 -0.52799900   -5.65751900   -1.20612100
 Au                -0.24988000   -1.30287300   -0.17003800
 C                  4.28517100    0.90497100    0.04552700
 H                  4.99147700    0.07973000    0.04256500
 C                  3.85684500    3.29312600    0.23714000
 H                  4.21886200    4.30692800    0.38485100
 Br                -2.14539300    1.60720000   -0.49833000

-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




