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	hartrees
Energy at 0K	-304.647191
Energy at 298.15K	-304.653200
HF Energy	-304.647191
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2292	2292	56.45
2	A₁	916	916	344.28
3	A₁	380	380	32.83
4	E	2314	2314	90.86
4	E	2314	2314	90.87
5	E	938	938	63.91
5	E	938	938	63.91
6	E	619	619	19.56
6	E	619	619	19.53

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.538
Br2	0.000	0.000	0.786
H3	0.000	1.411	-1.987
H4	1.222	-0.706	-1.987
H5	-1.222	-0.706	-1.987

	Si1	Br2	H3	H4	H5
Si1		2.3242	1.4810	1.4810	1.4810
Br2	2.3242		3.1114	3.1114	3.1114
H3	1.4810	3.1114		2.4446	2.4446
H4	1.4810	3.1114	2.4446		2.4446
H5	1.4810	3.1114	2.4446	2.4446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	107.637	Br2	Si1	H4	107.637
Br2	Si1	H5	107.637	H3	Si1	H4	111.241
H3	Si1	H5	111.241	H4	Si1	H5	111.241

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: wB97X-D/SDD

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	0.461
2	Br	-0.257
3	H	-0.068
4	H	-0.068
5	H	-0.068

	x	y	z	Total
	0.000	0.000	-2.622	2.622
CHELPG
AIM
ESP

<r²>	74.014
(<r²>)^1/2	8.603

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)