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

single point

1 1
 C                  2.57094300    1.78378100   -0.15334500
 C                  1.90656300    0.61042200    0.24625200
 C                  2.63119400   -0.57883800    0.39495900
 C                  4.64902200    0.58264600   -0.30496100
 H                  2.13988300   -1.48451400    0.73716300
 H                  5.71523000    0.56470700   -0.51200800
 C                  0.46508300    0.89573400    0.44939300
 C                 -0.52346900   -0.02551300    0.41754400
 C                  1.62317800    2.95663200   -0.23807600
 H                  1.36165800    3.18154200   -1.27804500
 H                  2.03607300    3.86956100    0.19576900
 C                 -0.51816200    2.32306300    2.91484000
 H                 -0.32392300    2.85040100    3.85348900
 H                 -1.61356200    2.29973200    2.78278900
 H                 -0.18547000    1.28266800    2.94412800
 C                  0.14969700    4.52954700    1.88463600
 H                 -0.65086900    4.93732500    2.51011000
 H                  1.09164300    4.72559900    2.42496100
 H                  0.19999700    5.04118500    0.92117300
 P                 -0.37794200   -4.39318000   -0.14891200
 C                 -1.32081700   -5.36277500    1.09406600
 H                 -1.22610100   -6.43504900    0.89364700
 H                 -0.93399100   -5.14409100    2.09345000
 H                 -2.37572400   -5.07665100    1.05584000
 C                  1.32230200   -5.08403300   -0.07544900
 H                  1.30116800   -6.16679200   -0.23670300
 H                  1.93922100   -4.61265800   -0.84583000
 H                  1.75989100   -4.87029200    0.90387000
 C                 -1.03045200   -4.96099800   -1.76959700
 H                 -2.07987300   -4.66768800   -1.86269100
 H                 -0.46129700   -4.48932100   -2.57571000
 H                 -0.94673800   -6.04952300   -1.85403700
 Au                -0.45831300   -2.07442900    0.16622600
 C                  3.99935600   -0.58451600    0.11635700
 H                  4.56685400   -1.50282500    0.23956100
 C                  3.93313800    1.77640500   -0.44078800
 H                  4.43484100    2.68804100   -0.75468700
 Br                -2.38955300    0.65781800    0.56069900
 C                  0.03621800    3.05731800    1.76627800
 C                  0.36610500    2.41579400    0.52137400
 H                 -0.55059200    2.80422700   -0.08606300
 O                 -1.48593100    3.56319700   -1.28854500
 H                 -0.94784500    4.37817200   -1.43893400
 C                 -1.51272000    2.78958100   -2.49155400
 O                  0.10220200    5.76573500   -1.31317800
 H                 -0.50262400    2.53488600   -2.84008500
 H                 -2.05026000    1.86643700   -2.26617700
 H                 -2.03988300    3.32832900   -3.28890700
 H                  0.82041600    5.80898000   -1.96471100
 C                 -0.61352100    7.01254700   -1.32446600
 H                 -1.41427700    6.91402700   -0.58911100
 H                  0.04090700    7.84213600   -1.03480100
 H                 -1.05160800    7.21543300   -2.30857700

-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




