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	hartrees
Energy at 0K	-2865.494828
Energy at 298.15K	-2865.500914
HF Energy	-2865.494828
Nuclear repulsion energy	149.637755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2271	2149	57.26
2	A₁	933	883	355.68
3	A₁	425	402	50.48
4	E	2286	2163	84.48
4	E	2286	2163	85.08
5	E	963	911	60.63
5	E	963	911	60.49
6	E	621	588	17.83
6	E	621	588	18.47

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.483
Br2	0.000	0.000	0.759
H3	0.000	1.404	-1.936
H4	1.216	-0.702	-1.936
H5	-1.216	-0.702	-1.936

	Si1	Br2	H3	H4	H5
Si1		2.2423	1.4756	1.4756	1.4756
Br2	2.2423		3.0393	3.0393	3.0393
H3	1.4756	3.0393		2.4322	2.4322
H4	1.4756	3.0393	2.4322		2.4322
H5	1.4756	3.0393	2.4322	2.4322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	107.885	Br2	Si1	H4	107.885
Br2	Si1	H5	107.885	H3	Si1	H4	111.010
H3	Si1	H5	111.010	H4	Si1	H5	111.010

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: M06-2X/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	0.453
2	Br	-0.269
3	H	-0.061
4	H	-0.061
5	H	-0.061

	x	y	z	Total
	0.000	0.000	-1.865	1.865
CHELPG
AIM
ESP

	x	y	z
x	5.048	0.000	0.000
y	0.000	5.045	-0.002
z	0.000	-0.002	7.605

<r²>	88.674
(<r²>)^1/2	9.417

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: M06-2X/TZVP

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)