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

single point

1 1
 C                  2.88322400    0.99140500   -0.45184000
 C                  1.98230400    0.02659800    0.03470200
 C                  2.47145700   -1.14248100    0.62735800
 C                  4.74382000   -0.39713000    0.18428900
 H                  1.78964500   -1.87646600    1.04622900
 H                  5.81476600   -0.56922700    0.24602400
 C                  0.59157600    0.50155900   -0.19709400
 C                 -0.45982000   -0.32505900   -0.37822000
 C                  2.13227000    2.18684200   -0.98959900
 H                  2.08691500    2.15586800   -2.08594200
 H                  2.60074300    3.13889300   -0.72481900
 C                  0.69833100    2.01861600   -0.40859800
 H                 -0.05879300    2.34894400   -1.12295200
 C                  1.40958200    2.41662800    2.05315600
 H                  2.45751700    2.40131500    1.74894400
 H                  1.29697500    3.11391200    2.89014800
 H                  1.15226800    1.41529700    2.40536400
 C                 -0.97216400    2.78033000    1.38422000
 H                 -1.24519100    1.75034500    1.62391000
 H                 -1.09557100    3.38721900    2.28726900
 H                 -1.66889700    3.13313800    0.62101700
 P                 -0.75276200   -4.71725300   -0.16664800
 C                 -1.29674900   -5.38097000    1.45811900
 H                 -1.32322700   -6.47546600    1.43291100
 H                 -0.60107700   -5.05190300    2.23538800
 H                 -2.29330800   -4.99769900    1.69531900
 C                  0.84722300   -5.56370200   -0.48363100
 H                  0.72573300   -6.64990800   -0.41739400
 H                  1.20931300   -5.29749700   -1.48068100
 H                  1.58421200   -5.23445900    0.25464700
 C                 -1.91438800   -5.46411600   -1.37821100
 H                 -2.92146800   -5.07421200   -1.20501400
 H                 -1.60433200   -5.19442600   -2.39187800
 H                 -1.92324300   -6.55438800   -1.27757400
 Au                -0.60739100   -2.38187600   -0.26677500
 C                  3.85270500   -1.34763900    0.69636200
 H                  4.23717600   -2.25017600    1.16389400
 C                  4.25839000    0.78311700   -0.39171100
 H                  4.94708900    1.52771600   -0.78423300
 C                  0.48086500    2.82912600    0.90958200
 O                  0.84762300    4.24654900    0.67892900
 C                  0.28142700    4.92613400   -0.45949500
 H                 -0.80938100    4.85791100   -0.45862900
 H                  0.67962500    4.52520000   -1.39485200
 H                  0.57944600    5.97208000   -0.36142200
 H                  4.56975200    3.42426600    0.83189000
 C                  4.45379500    4.31313900    1.45802000
 H                  4.22606600    4.01243200    2.48640400
 O                  3.42210300    5.16685300    0.91974000
 H                  5.37945300    4.88988200    1.44252700
 H                  2.57451300    4.66630300    0.81865500
 H                  3.07931600    6.25523800    1.81709100
 O                  2.66979700    6.98049500    2.47011500
 C                  2.64733600    8.29627700    1.83430200
 H                  2.07213100    8.25846300    0.90621200
 H                  3.68152000    8.57714900    1.63876000
 H                  2.19324100    8.98707900    2.54358500
 H                  1.67936100    6.63526400    2.65148000
 O                  0.37222700    6.05830300    2.68040800
 H                  0.40520600    5.29287000    2.05477900
 C                 -0.13099100    5.64988700    3.96747300
 H                  0.49314900    4.86781600    4.41350800
 H                 -1.15937400    5.29145900    3.86650500
 H                 -0.11813200    6.53366400    4.60671900
 Br                -2.18870900    0.51649500   -0.94630700

-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




