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	hartrees
Energy at 0K	-2865.470059
Energy at 298.15K	-2865.476129
HF Energy	-2865.470059
Nuclear repulsion energy	149.550820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2232	2153	60.70
2	A₁	922	889	336.00
3	A₁	420	405	43.82
4	E	2252	2171	93.03
4	E	2252	2171	93.04
5	E	941	907	56.57
5	E	941	907	56.57
6	E	623	600	17.36
6	E	623	600	17.36

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.481
Br2	0.000	0.000	0.759
H3	0.000	1.410	-1.947
H4	1.221	-0.705	-1.947
H5	-1.221	-0.705	-1.947

	Si1	Br2	H3	H4	H5
Si1		2.2404	1.4855	1.4855	1.4855
Br2	2.2404		3.0521	3.0521	3.0521
H3	1.4855	3.0521		2.4429	2.4429
H4	1.4855	3.0521	2.4429		2.4429
H5	1.4855	3.0521	2.4429	2.4429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	108.292	Br2	Si1	H4	108.292
Br2	Si1	H5	108.292	H3	Si1	H4	110.624
H3	Si1	H5	110.624	H4	Si1	H5	110.624

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: B3PW91/TZVP

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	0.413
2	Br	-0.250
3	H	-0.054
4	H	-0.054
5	H	-0.054

	x	y	z	Total
	0.000	0.000	-1.610	1.610
CHELPG
AIM
ESP

<r²>	88.696
(<r²>)^1/2	9.418

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)