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	hartrees
Energy at 0K	-2865.528926
Energy at 298.15K	-2865.535003
HF Energy	-2865.528926
Nuclear repulsion energy	150.153101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2233	2148	57.98
2	A₁	921	885	289.35
3	A₁	423	406	40.78
4	E	2252	2165	86.49
4	E	2252	2165	86.50
5	E	941	905	50.09
5	E	941	905	50.09
6	E	623	600	14.58
6	E	623	600	14.58

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.474
Br2	0.000	0.000	0.756
H3	0.000	1.407	-1.941
H4	1.218	-0.703	-1.941
H5	-1.218	-0.703	-1.941

	Si1	Br2	H3	H4	H5
Si1		2.2307	1.4821	1.4821	1.4821
Br2	2.2307		3.0423	3.0423	3.0423
H3	1.4821	3.0423		2.4364	2.4364
H4	1.4821	3.0423	2.4364		2.4364
H5	1.4821	3.0423	2.4364	2.4364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	108.362	Br2	Si1	H4	108.362
Br2	Si1	H5	108.362	H3	Si1	H4	110.558
H3	Si1	H5	110.558	H4	Si1	H5	110.558

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: B3PW91/cc-pVTZ

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	0.237
2	Br	-0.209
3	H	-0.009
4	H	-0.009
5	H	-0.009

	x	y	z	Total
	0.000	0.000	-1.362	1.362
CHELPG
AIM
ESP

<r²>	88.172
(<r²>)^1/2	9.390

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)