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	hartrees
Energy at 0K	-2859.377420
Energy at 298.15K	-2859.383451
HF Energy	-2859.377420
Nuclear repulsion energy	151.306729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2191	2158	61.03
2	A₁	888	875	287.17
3	A₁	439	433	39.81
4	E	2215	2182	86.38
4	E	2215	2182	86.38
5	E	897	883	39.71
5	E	897	883	39.71
6	E	605	596	13.16
6	E	605	596	13.16

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.458
Br2	0.000	0.000	0.749
H3	0.000	1.414	-1.936
H4	1.225	-0.707	-1.936
H5	-1.225	-0.707	-1.936

	Si1	Br2	H3	H4	H5
Si1		2.2076	1.4925	1.4925	1.4925
Br2	2.2076		3.0347	3.0347	3.0347
H3	1.4925	3.0347		2.4491	2.4491
H4	1.4925	3.0347	2.4491		2.4491
H5	1.4925	3.0347	2.4491	2.4491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	108.660	Br2	Si1	H4	108.660
Br2	Si1	H5	108.660	H3	Si1	H4	110.270
H3	Si1	H5	110.270	H4	Si1	H5	110.270

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: SVWN/6-31+G**

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	0.387
2	Br	-0.306
3	H	-0.027
4	H	-0.027
5	H	-0.027

	x	y	z	Total
	0.000	0.000	-1.443	1.443
CHELPG
AIM
ESP

<r²>	87.263
(<r²>)^1/2	9.341

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: SVWN/6-31+G**

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)