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	hartrees
Energy at 0K	-2862.453707
Energy at 298.15K	-2862.459758
HF Energy	-2862.453707
Nuclear repulsion energy	150.102966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2191	2161	68.22
2	A₁	916	903	297.41
3	A₁	431	425	35.50
4	E	2210	2180	111.60
4	E	2210	2180	111.63
5	E	912	899	45.77
5	E	912	899	45.77
6	E	620	611	16.35
6	E	620	611	16.34

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.471
Br2	0.000	0.000	0.756
H3	0.000	1.414	-1.955
H4	1.225	-0.707	-1.955
H5	-1.225	-0.707	-1.955

	Si1	Br2	H3	H4	H5
Si1		2.2274	1.4945	1.4945	1.4945
Br2	2.2274		3.0576	3.0576	3.0576
H3	1.4945	3.0576		2.4494	2.4494
H4	1.4945	3.0576	2.4494		2.4494
H5	1.4945	3.0576	2.4494	2.4494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	108.877	Br2	Si1	H4	108.877
Br2	Si1	H5	108.877	H3	Si1	H4	110.059
H3	Si1	H5	110.059	H4	Si1	H5	110.059

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Si	0.365
2	Br	-0.228
3	H	-0.046
4	H	-0.046
5	H	-0.046

	x	y	z	Total
	0.000	0.000	-1.301	1.301
CHELPG
AIM
ESP

<r²>	88.067
(<r²>)^1/2	9.384

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)