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

single point

1 1
 C                  2.72128800    2.12045100   -0.28595000
 C                  2.04666700    0.93526700    0.05534300
 C                  2.75701100   -0.27123300    0.11141400
 C                  4.77723900    0.90243600   -0.55881800
 H                  2.25758900   -1.18917300    0.40576900
 H                  5.83798400    0.88232800   -0.79180400
 C                  0.61951900    1.22223800    0.32639200
 C                 -0.37561200    0.31067500    0.38935200
 C                  1.80401800    3.31775800   -0.28411800
 H                  1.55814000    3.65707000   -1.29470900
 H                  2.22418200    4.17429400    0.24899100
 C                  0.26921300    2.57481200    2.93274100
 H                  0.37240000    3.18887900    3.82882000
 H                 -0.71226100    2.06867300    2.96682800
 H                  1.00505400    1.76343700    2.89250100
 C                  0.01674900    4.80553600    1.75500900
 H                 -0.98289700    4.94125400    2.19845200
 H                  0.70879700    5.26932400    2.47119600
 H                  0.06658500    5.30266600    0.78482000
 P                 -0.37952900   -4.04549000   -0.26393600
 C                 -1.34235700   -5.01720600    0.96185900
 H                 -1.28845400   -6.08585100    0.72926900
 H                 -0.93725000   -4.84197700    1.96254800
 H                 -2.38669300   -4.69271200    0.94449300
 C                  1.29984900   -4.78796900   -0.22330400
 H                  1.24670400   -5.86464500   -0.41513700
 H                  1.92532200   -4.31277800   -0.98443700
 H                  1.74964600   -4.61476000    0.75849300
 C                 -1.06389800   -4.54934200   -1.89243200
 H                 -2.10436300   -4.22087800   -1.96724800
 H                 -0.48761400   -4.07410000   -2.69132100
 H                 -1.01573900   -5.63732800   -2.00608700
 Au                -0.38252100   -1.73256600    0.10423500
 C                  4.11739300   -0.28002200   -0.19974500
 H                  4.67160100   -1.21329400   -0.15185900
 C                  4.07813000    2.11251500   -0.60060600
 H                  4.58736600    3.03498500   -0.86679800
 Br                -2.19713300    1.04108200    0.75907900
 C                  0.27804200    3.35583300    1.69071100
 C                  0.48344000    2.73856600    0.39012400
 H                 -0.36337300    3.10358700   -0.24734100
 O                 -1.35930100    3.69782300   -1.71349700
 H                 -0.82837600    4.51753100   -1.83074400
 C                 -1.07200000    2.79290500   -2.77744000
 O                  0.11107800    5.99790600   -1.47834900
 H                 -0.00689300    2.52156000   -2.81936700
 H                 -1.64881100    1.88337100   -2.59138400
 H                 -1.36746200    3.20742100   -3.75105700
 H                  0.87058700    6.19127300   -2.05085500
 C                 -0.75704200    7.14285700   -1.46108200
 H                 -1.60348000    6.87713900   -0.82456900
 H                 -0.24866000    8.01640500   -1.03712400
 H                 -1.12573100    7.38413400   -2.46499500

-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




