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

single point

1 1
 C                  2.77336500    0.90404900   -0.82343200
 C                  1.95742200   -0.03125700   -0.16121900
 C                  2.51461500   -1.21761100    0.32855800
 C                  4.67576800   -0.54738900   -0.56181900
 H                  1.90608700   -1.92668200    0.88181300
 H                  5.73225500   -0.75354000   -0.71004400
 C                  0.56710600    0.49530700   -0.10240800
 C                 -0.52848200   -0.29216800   -0.06599700
 C                  1.96941700    2.12406500   -1.20829100
 H                  1.69586400    2.08855800   -2.27135400
 H                  2.50383800    3.06423200   -1.04606700
 C                  0.68398400    2.00626800   -0.33969100
 H                 -0.19465900    2.37126800   -0.87808100
 C                  2.00295800    2.49193300    1.83762600
 H                  2.94275400    2.64147400    1.30065700
 H                  2.01939300    3.09149700    2.75217100
 H                  1.94291400    1.44181600    2.13247600
 C                 -0.49437400    2.77692700    1.80557000
 H                 -0.67380200    1.74637500    2.12170300
 H                 -0.41246300    3.39727600    2.70365600
 H                 -1.36037500    3.10232100    1.22294300
 P                 -0.85639200   -4.68476100    0.04829100
 C                 -1.84783000   -5.37424400    1.43313900
 H                 -1.86821800   -6.46784400    1.38222100
 H                 -1.41008600   -5.06214000    2.38567300
 H                 -2.86980600   -4.98895100    1.37444500
 C                  0.77754600   -5.51248700    0.19570100
 H                  0.65904000   -6.60101200    0.20167600
 H                  1.40891900   -5.21967100   -0.64812500
 H                  1.26348400   -5.19416900    1.12245800
 C                 -1.60568600   -5.42354200   -1.45791700
 H                 -2.62793100   -5.05272700   -1.57470100
 H                 -1.02339600   -5.12857000   -2.33554200
 H                 -1.62058400   -6.51574100   -1.38060700
 Au                -0.70505300   -2.34817200    0.01059300
 C                  3.87381000   -1.47018500    0.12053100
 H                  4.31390600   -2.38583200    0.50656500
 C                  4.12555200    0.65036500   -1.03354000
 H                  4.74928600    1.37859600   -1.54623000
 C                  0.78881700    2.84149800    0.97675500
 O                  0.94083900    4.22833000    0.45687400
 C                  1.32307200    5.27606900    1.36795900
 H                  0.67656700    5.30034800    2.25015400
 H                  2.36488700    5.14991500    1.66764700
 H                  1.21778300    6.21142800    0.81546900
 H                 -0.11069700    4.60333600   -0.35717600
 O                 -0.93477600    4.88722100   -0.99821200
 C                 -0.47700500    5.51046800   -2.23740800
 H                 -0.03638300    6.48781900   -2.02879400
 H                  0.25957500    4.83886000   -2.67622200
 H                 -1.34228900    5.60359900   -2.89283300
 H                 -1.57375600    5.50670500   -0.46026200
 H                 -2.95720900    7.76019100   -1.00193600
 C                 -3.44577900    7.15076400   -0.24069700
 O                 -2.39827700    6.40191300    0.41847000
 H                 -4.17401900    6.48290000   -0.71223700
 H                 -3.94569400    7.80252000    0.48088500
 H                 -2.79280800    5.87003700    1.13052100
 Br                -2.30719800    0.62064500   -0.23697700

-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




