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

single point

1 1
 C                  2.79405600    0.59825000    0.07414300
 C                  1.68981500   -0.26941900   -0.10099300
 C                  1.95063900   -1.63737800   -0.30324000
 C                  4.33590600   -1.25228900   -0.18492700
 H                  1.11378200   -2.31579200   -0.44390600
 H                  5.35448200   -1.62793900   -0.21367200
 C                  0.30587300    0.26128600   -0.13377400
 C                  0.17197300    1.58805500   -0.34121500
 C                  2.52943000    2.04660600    0.36434600
 H                  2.19809600    2.17645600    1.40051700
 H                  3.42277400    2.65621600    0.20556300
 C                  1.34174800    2.52746100   -0.58678600
 H                  1.68649700    2.43164200   -1.62410800
 C                  1.16481900    3.93457400   -0.23713100
 C                  0.62908400    4.34667800    1.07153600
 H                 -0.12957000    5.12814600    0.93482900
 H                  1.45273600    4.83951800    1.61557700
 H                  0.22422500    3.52877600    1.66593200
 C                  1.60471800    4.97218500   -1.18138400
 H                  2.46099600    4.64917200   -1.78330100
 H                  1.77925900    5.94223800   -0.71200200
 H                  0.76869200    5.08776800   -1.89599900
 P                 -3.17527300   -2.45904500    0.26779600
 C                 -4.11182000   -2.27827800    1.83816900
 H                 -4.95617600   -2.97503500    1.86000100
 H                 -4.48430600   -1.25352400    1.92473100
 H                 -3.44904300   -2.48329700    2.68374800
 C                 -4.44083900   -2.23728600   -1.04555200
 H                 -5.27512300   -2.93037900   -0.89509400
 H                 -3.98615300   -2.42241200   -2.02295400
 H                 -4.81266200   -1.20895300   -1.02189600
 C                 -2.74742300   -4.24426600    0.19449100
 H                 -2.06086100   -4.48737300    1.01048800
 H                 -2.25261100   -4.46098400   -0.75663800
 H                 -3.64970600   -4.85815100    0.28372500
 Au                -1.33666100   -1.01839000    0.05543100
 C                  3.25544300   -2.12494900   -0.34485500
 H                  3.42999600   -3.18464600   -0.50733200
 C                  4.10077700    0.10892900    0.01486300
 H                  4.93572100    0.79264300    0.14459400
 Br                -1.57344000    2.42062600   -0.57419800

-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




