Table 7.

Structure of HSiI (bond lengths in Å, angle in degrees).

	r(Si-H)	r(Si-I)	∠(HSiI)	Refs.
r 0	1.534(1)	2.463(1)	92.4(1)	[8]
$r_{\mathrm{e}}^z$ a	1.5151(2)	2.4610(1)	92.5(1)	[8]
r 0	1.5405(16)	2.46143(9)	92.68(6)	[9]
MP2/6-311G**	1.5084	2.4967	93.70	This work
MP2/cc-pVTZ b	1.5114	2.4567	93.77	This work
B3LYP/def2-TZVP	1.5230	2.4906	93.41	This work
MP2/def2-TZVP	1.5128	2.4495	93.90	This work
Predicates	1.5112(40) c	2.455(5)	93.8(5) d	This work
$r_{\mathrm{e}}^{\mathrm{S}\mathrm{E}}$ e	1.5138(8)	2.45746(6)	93.26(5)	This work
$r_{\mathrm{e}}^{\mathrm{S}\mathrm{E}}$ f	1.5128(11)	2.45684(8)	93.254(7)	This work
$r_{\mathrm{e}}^{\mathrm{S}\mathrm{E}}$ g	1.5125(7)	2.45760(5)	93.185(4)	This work

^a Derived from the r_z structure. ^b cc-pV(T+d)Z on Si and cc-pVTZ-PP on I. ^c From isolated stretching frequency, see text. ^d MP2 value, see Table 2. ^e Cubic force field calculated at the MP2/6-311G** level of theory. ^f Cubic force field calculated at the B3LYP/def2-TZVP level of theory. ^g Cubic force field calculated at the MP2/def2-TZVP level of theory.