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

single point

1 1
 C                  2.55374700    0.83736700   -1.04833400
 C                  1.69985600    0.22152600   -0.10743900
 C                  1.99936700   -1.05966600    0.40291600
 C                  3.95262000   -1.14229900   -1.01462400
 H                  1.33929000   -1.50923300    1.13783400
 H                  4.83454500   -1.66792500   -1.36818500
 C                  0.51514300    0.90865500    0.29267100
 C                 -0.71696800    1.00116200    0.62086800
 C                  2.21871600    2.24965600   -1.48697400
 H                  1.60300700    2.20442200   -2.39416300
 H                  3.14094800    2.77275300   -1.76694800
 C                  1.46032600    3.02124700   -0.42147600
 H                  0.51501900    3.46653700   -0.72132900
 C                  1.94575400    3.33263800    0.81345900
 C                  3.28373500    2.87171200    1.32399100
 H                  3.89044700    3.74441700    1.59811300
 H                  3.15617400    2.28084000    2.24070600
 H                  3.84820200    2.27416400    0.60738000
 C                  1.17532300    4.20603400    1.76582900
 H                  0.91137500    3.65137800    2.67536800
 H                  1.80279900    5.04922500    2.08324900
 H                  0.25683600    4.59770600    1.32408000
 P                 -2.65874300   -2.94930100   -0.07883000
 C                 -4.13092700   -3.19364800    0.98558100
 H                 -4.59711900   -4.15890000    0.76297600
 H                 -3.82862000   -3.16688700    2.03610700
 H                 -4.85012300   -2.39056700    0.80354600
 C                 -1.57446700   -4.39206600    0.24808500
 H                 -2.12154500   -5.32315300    0.06773900
 H                 -0.70306000   -4.34668400   -0.41088000
 H                 -1.23454600   -4.36378900    1.28695600
 C                 -3.25754700   -3.16878600   -1.79765600
 H                 -3.96740300   -2.37337200   -2.04021600
 H                 -2.41131900   -3.10957300   -2.48756700
 H                 -3.74884100   -4.14147400   -1.90331700
 Au                -1.59445600   -0.91538800    0.27232100
 C                  3.11881900   -1.74082700   -0.06362700
 H                  3.34768700   -2.72952900    0.32133200
 C                  3.67429900    0.14171800   -1.49503000
 H                  4.34490400    0.61188600   -2.20865900
 Br                -1.81440700    2.38453300    1.24917300

-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




