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	hartrees
Energy at 0K	-2850.983468
Energy at 298.15K	-2850.989402
HF Energy	-2850.983468
Nuclear repulsion energy	143.454507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2150	2130	54.52
2	A₁	885	877	266.41
3	A₁	364	361	20.55
4	E	2178	2158	102.06
4	E	2178	2158	102.07
5	E	879	871	44.54
5	E	879	871	44.54
6	E	591	586	16.73
6	E	591	586	16.73

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.552
Br2	0.000	0.000	0.795
H3	0.000	1.426	-2.033
H4	1.235	-0.713	-2.033
H5	-1.235	-0.713	-2.033

	Si1	Br2	H3	H4	H5
Si1		2.3467	1.5046	1.5046	1.5046
Br2	2.3467		3.1669	3.1669	3.1669
H3	1.5046	3.1669		2.4691	2.4691
H4	1.5046	3.1669	2.4691		2.4691
H5	1.5046	3.1669	2.4691	2.4691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	108.655	Br2	Si1	H4	108.655
Br2	Si1	H5	108.655	H3	Si1	H4	110.275
H3	Si1	H5	110.275	H4	Si1	H5	110.275

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: PBEPBE/3-21G

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	0.381
2	Br	-0.224
3	H	-0.052
4	H	-0.052
5	H	-0.052

	x	y	z	Total
	0.000	0.000	-1.856	1.856
CHELPG
AIM
ESP

<r²>	95.118
(<r²>)^1/2	9.753

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)