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	hartrees
Energy at 0K	-2851.457112
Energy at 298.15K	-2851.463272
HF Energy	-2851.457112
Nuclear repulsion energy	152.548722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2291	2199	69.15
2	A₁	974	935	345.74
3	A₁	468	449	33.93
4	E	2305	2212	111.07
4	E	2305	2212	111.07
5	E	950	912	54.38
5	E	950	912	54.38
6	E	663	637	26.90
6	E	663	637	26.90

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.444
Br2	0.000	0.000	0.743
H3	0.000	1.402	-1.932
H4	1.214	-0.701	-1.932
H5	-1.214	-0.701	-1.932

	Si1	Br2	H3	H4	H5
Si1		2.1877	1.4843	1.4843	1.4843
Br2	2.1877		3.0203	3.0203	3.0203
H3	1.4843	3.0203		2.4283	2.4283
H4	1.4843	3.0203	2.4283		2.4283
H5	1.4843	3.0203	2.4283	2.4283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	109.174	Br2	Si1	H4	109.174
Br2	Si1	H5	109.174	H3	Si1	H4	109.767
H3	Si1	H5	109.767	H4	Si1	H5	109.767

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: PBE1PBE/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	0.402
2	Br	-0.269
3	H	-0.044
4	H	-0.044
5	H	-0.044

	x	y	z	Total
	0.000	0.000	-1.040	1.040
CHELPG
AIM
ESP

<r²>	86.042
(<r²>)^1/2	9.276

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: PBE1PBE/3-21G*

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)