Table 1: Geometrical parameters for the ground and excited states of HSiBr.

Electronic stateMethod (HSi) (Å) (SiCl) (Å) (HSiCl) (˚)

CCSD(T)/AVQZa1.5182.25393.9
B3LYP/6-311G(3df,3pd)b1.5242.267494.3
Expt.c1.5612.231102.9
Expt.d1.5182.23793.4
Expt.b1.5032.23592.8

CAS/MRCI +Q/AVQZa1.4992.219117.7
B3LYP/6-311G(3df,3pd)b1.50142.2339115.9
Expt.c1.4992.208116.6
Expt.d1.4972.208116.4

aThis work.
bReference [13].
cReference [3].
dReference [8].