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

single point

1 1
 C                  1.94232300    2.64680100   -0.48256400
 C                  1.27944000    1.47501700   -0.07614100
 C                  1.92915800    0.56210100    0.76169500
 C                  3.90856400    1.97471300    0.72875500
 H                  1.41426200   -0.32523200    1.11722100
 H                  4.92939100    2.16300200    1.04920200
 C                 -0.08810600    1.46004700   -0.65872000
 C                 -0.77516200    0.33592900   -0.95292300
 C                  1.03173100    3.49765600   -1.33808200
 H                  1.26216000    3.36421900   -2.40251500
 H                  1.11316800    4.56774600   -1.12601800
 C                 -0.38361400    2.91786600   -1.05237900
 H                 -1.02075400    2.94384000   -1.94285600
 C                 -0.35147800    3.87468300    1.36245100
 H                  0.61791800    4.34457300    1.19225800
 H                 -0.91867700    4.46535400    2.08614100
 H                 -0.17914400    2.89019100    1.80408400
 C                 -2.54784700    3.18641600    0.31971100
 H                 -2.49085800    2.15877500    0.68825800
 H                 -3.05426900    3.78886500    1.07871200
 H                 -3.14012900    3.17630600   -0.59781400
 P                  0.31467300   -3.89230100   -0.35285200
 C                 -0.83058000   -4.85768600    0.71108800
 H                 -0.47440400   -5.88760600    0.81793900
 H                 -0.89300900   -4.39025000    1.69800200
 H                 -1.82774300   -4.86209100    0.26184000
 C                  1.96117100   -4.10777700    0.43354000
 H                  2.19325300   -5.17176700    0.54839500
 H                  2.72509600   -3.63338000   -0.18916000
 H                  1.96219900   -3.62671800    1.41587200
 C                  0.42372300   -4.86369000   -1.90808900
 H                 -0.55011800   -4.86507100   -2.40589500
 H                  1.15728200   -4.40101900   -2.57454200
 H                  0.72540900   -5.89415300   -1.69352000
 Au                -0.28596800   -1.64973900   -0.65507600
 C                  3.24558300    0.81786600    1.15611800
 H                  3.75315500    0.11727100    1.81357200
 C                  3.25352500    2.90018300   -0.09221900
 H                  3.75787900    3.80840200   -0.41219200
 Br                -2.49652400    0.55467700   -1.94257600
 C                 -1.13226800    3.67705100    0.07479600
 O                 -1.24766500    5.12346700   -0.54845000
 C                 -1.90550100    6.31129800    0.16111800
 H                 -2.27043800    5.89352500    1.09820800
 H                 -1.58018100    5.05756200   -1.46644900
 C                 -3.05340600    6.78173500   -0.70963800
 H                 -3.80502500    5.99866000   -0.84511600
 H                 -3.53450700    7.63277500   -0.21817200
 H                 -2.69511600    7.12144100   -1.68810700
 C                 -0.80058900    7.32090500    0.38577600
 H                 -1.21074300    8.17264400    0.93787400
 H                  0.01438500    6.88831400    0.97154300
 H                 -0.40506700    7.68096100   -0.56877300

-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




