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

single point

1 1
 C                  0.43174300    1.13863600   -0.97732900
 C                  1.52497800    0.68464300   -0.22183100
 C                  2.35869000    1.59536000    0.43982500
 C                  0.98778600    3.40922600   -0.41956700
 H                  3.19868900    1.25115900    1.03577200
 H                  0.78340900    4.47380300   -0.48607400
 C                  1.57241100   -0.78361200   -0.24764900
 C                 -0.31923800   -0.00096500   -1.61632500
 H                 -0.16165500   -0.03540000   -2.69913700
 H                 -1.39722500    0.08376500   -1.45560600
 C                  0.32331400   -1.28875900   -0.95890600
 H                  0.57592100   -2.01383800   -1.73977500
 C                 -0.70794500   -1.92336100   -0.07524900
 C                 -0.75863400   -1.68869200    1.30368300
 H                  0.18064800   -1.42983100    1.79380600
 H                 -1.35178100   -0.58834800    1.34141200
 H                 -1.42574300   -2.32739900    1.88402500
 C                  2.08245200    2.95815900    0.33349500
 H                  2.71630000    3.67646400    0.84481900
 C                  0.15521600    2.50079900   -1.07921300
 H                 -0.69708400    2.84470100   -1.65682300
 C                  2.53941200   -1.55663400    0.26083800
 H                  3.42963700   -1.17700400    0.74686600
 C                 -1.75677600   -2.72918100   -0.75030300
 H                 -1.34124600   -3.74519100   -0.84894300
 H                 -2.67336000   -2.80371100   -0.16043600
 H                 -1.97119600   -2.37520000   -1.76282400
 O                 -1.98735500    0.67429300    1.68600200
 H                 -2.31426100    1.10821500    0.84678900
 C                 -1.06693900    1.55335100    2.36158200
 H                 -1.59243200    2.46474500    2.66332200
 H                 -0.71899000    1.02776300    3.25277700
 H                 -0.21389700    1.80979900    1.72677000
 O                 -2.94026700    1.71099600   -0.58558400
 H                 -3.03579100    2.67627200   -0.53588400
 C                 -4.22127300    1.12733900   -0.88804800
 H                 -4.95381200    1.33498300   -0.10016200
 H                 -4.59584900    1.49386500   -1.84923000
 H                 -4.05913800    0.04946900   -0.95451700
 Br                 2.46790400   -3.46741700    0.21285600

-C -H -P -O 0
6-311+G(d,p)
****
Br 0
LANL2DZ
D 1 1.0
0.428 1.0
****

Br 0
LANL2DZ




