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

single point

1 1
 C                  1.67230400    3.10814900    1.53839300
 C                  1.31322200    1.84341600    1.04245900
 C                  1.46131500    0.71586000    1.86329800
 C                  2.32808600    2.13305900    3.63820200
 H                  1.17534900   -0.26766100    1.50280400
 H                  2.71766500    2.23709100    4.64688500
 C                  0.78996500    1.96236400   -0.33644700
 C                  0.44048000    0.94569800   -1.15213900
 C                  1.45599500    4.19109400    0.51402600
 H                  2.40479400    4.60274800    0.15216500
 H                  0.88283800    5.03674600    0.90951000
 C                  0.72814100    3.46388400   -0.67812300
 H                  1.24863300    3.66043800   -1.61863500
 C                 -0.67288600    3.99726700   -0.77993200
 C                 -0.97764700    5.02365500   -1.66660800
 H                 -0.32253100    5.17515000   -2.52465100
 H                 -2.02825600    5.26929100   -1.82690400
 H                 -0.61502700    5.99021300   -0.86532600
 C                 -1.67251900    3.51647500    0.21263400
 H                 -1.23053700    3.42835000    1.21149400
 H                 -2.56781500    4.14027400    0.24337900
 H                 -1.95994400    2.49885800   -0.08579400
 P                  0.62754300   -3.43076600   -0.69058400
 C                  0.52904900   -4.37757600   -2.26162200
 H                  0.59370100   -5.45232500   -2.06248000
 H                 -0.41870800   -4.15597600   -2.76057900
 H                  1.35020100   -4.07904400   -2.91946600
 C                 -0.70661000   -4.13842700    0.35546300
 H                 -0.58742600   -5.22347700    0.44170300
 H                 -0.66446800   -3.68814600    1.35139300
 H                 -1.67953100   -3.91292100   -0.09032600
 C                  2.17833100   -4.01295200    0.10320600
 H                  3.03622100   -3.70369200   -0.50047900
 H                  2.26789100   -3.56271700    1.09613100
 H                  2.17226600   -5.10376100    0.19719400
 Au                 0.51937000   -1.10441300   -0.93915000
 C                  1.97010600    0.86786100    3.15299900
 H                  2.08223400   -0.00518800    3.79016500
 C                  2.17666000    3.26151800    2.82842700
 H                  2.44749800    4.24688000    3.19887200
 Br                -0.30196700    1.50714400   -2.92079600
 O                 -0.26083100    7.07054400   -0.11695600
 H                  0.55067100    7.46247300   -0.57026500
 C                 -1.31907500    8.05419900   -0.09013500
 H                 -1.53211900    8.43037700   -1.09577500
 H                 -2.20358900    7.56359000    0.31869500
 H                 -1.02207700    8.87892700    0.56288600
 O                  1.82164500    8.01873500   -1.42320900
 H                  2.19118200    8.82925600   -1.03591400
 C                  2.88420300    7.06466600   -1.59806900
 H                  2.42456300    6.15778400   -1.99587600
 H                  3.62187900    7.43634500   -2.31676700
 H                  3.37949700    6.83205700   -0.64809700

-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




