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	hartrees
Energy at 0K	-2864.996486
Energy at 298.15K	-2865.002500
HF Energy	-2864.996486
Nuclear repulsion energy	149.261836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2172	2147	55.22
2	A₁	882	872	259.19
3	A₁	412	407	36.77
4	E	2193	2169	74.77
4	E	2193	2169	74.79
5	E	906	896	41.84
5	E	906	896	41.85
6	E	600	593	11.71
6	E	600	593	11.71

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.483
Br2	0.000	0.000	0.761
H3	0.000	1.417	-1.953
H4	1.227	-0.708	-1.953
H5	-1.227	-0.708	-1.953

	Si1	Br2	H3	H4	H5
Si1		2.2435	1.4928	1.4928	1.4928
Br2	2.2435		3.0615	3.0615	3.0615
H3	1.4928	3.0615		2.4538	2.4538
H4	1.4928	3.0615	2.4538		2.4538
H5	1.4928	3.0615	2.4538	2.4538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	108.372	Br2	Si1	H4	108.372
Br2	Si1	H5	108.372	H3	Si1	H4	110.548
H3	Si1	H5	110.548	H4	Si1	H5	110.548

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: PBEPBEultrafine/aug-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	0.669
2	Br	-0.250
3	H	-0.140
4	H	-0.140
5	H	-0.140

	x	y	z	Total
	0.000	0.000	-1.290	1.290
CHELPG
AIM
ESP

<r²>	89.164
(<r²>)^1/2	9.443

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)