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	hartrees
Energy at 0K	-2865.914436
Energy at 298.15K	-2865.920527
HF Energy	-2865.914436
Nuclear repulsion energy	150.837608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2256	2159	59.94
2	A₁	924	885	296.27
3	A₁	430	411	41.66
4	E	2273	2175	89.51
4	E	2273	2175	89.53
5	E	945	904	51.29
5	E	945	904	51.28
6	E	628	601	15.52
6	E	628	601	15.51

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.468
Br2	0.000	0.000	0.753
H3	0.000	1.402	-1.933
H4	1.214	-0.701	-1.933
H5	-1.214	-0.701	-1.933

	Si1	Br2	H3	H4	H5
Si1		2.2202	1.4769	1.4769	1.4769
Br2	2.2202		3.0292	3.0292	3.0292
H3	1.4769	3.0292		2.4278	2.4278
H4	1.4769	3.0292	2.4278		2.4278
H5	1.4769	3.0292	2.4278	2.4278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	108.361	Br2	Si1	H4	108.361
Br2	Si1	H5	108.361	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: B1B95/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	0.182
2	Br	-0.199
3	H	0.006
4	H	0.006
5	H	0.006

	x	y	z	Total
	0.000	0.000	-1.320	1.320
CHELPG
AIM
ESP

<r²>	87.544
(<r²>)^1/2	9.356

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)